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Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with Target = 'Phospholipase A2 group 1VB'   
Target
(Institution)
LigandTarget
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)
BDBM50110881
PNG
(4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O5S/c28-23(19-31-24-12-10-22(11-13-24)27(29)30)20-32-25-14-16-26(17-15-25)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110854
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-nitro-b...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30)
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n/an/a 20n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110873
PNG
(4-[3-(4-Dodecyloxy-phenoxy)-2-oxo-propoxy]-benzoic...)
Show SMILES CCCCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-10-11-20-32-25-16-18-27(19-17-25)34-22-24(29)21-33-26-14-12-23(13-15-26)28(30)31/h12-19H,2-11,20-22H2,1H3,(H,30,31)
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n/an/a 26n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110875
PNG
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-pentanoic...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCCCCC(O)=O)cc1
Show InChI InChI=1S/C24H38O6/c1-2-3-4-5-6-7-8-10-18-29-22-13-15-23(16-14-22)30-20-21(25)19-28-17-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27)
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n/an/a 30n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 30n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110865
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-32-25-13-15-26(16-14-25)33-21-24(28)20-31-19-22-11-10-12-23(18-22)27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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n/an/a 35n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110872
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-18-32-25-14-16-26(17-15-25)33-21-24(28)20-31-19-22-10-12-23(13-11-22)27(29)30/h10-17H,2-9,18-21H2,1H3,(H,29,30)
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n/an/a 40n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110884
PNG
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27)
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n/an/a 46n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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n/an/a 48n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110888
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-17-30-23-13-15-24(16-14-23)31-19-22(27)20-32-25-12-10-11-21(18-25)26(28)29/h10-16,18H,2-9,17,19-20H2,1H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110860
PNG
(CHEMBL29247 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(CC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-31-24-13-15-25(16-14-24)32-20-23(28)21-33-26-12-10-11-22(18-26)19-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110853
PNG
(CHEMBL29246 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-17-31-23-13-15-24(16-14-23)32-19-22(28)20-33-25-11-10-12-26(18-25)34-21-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110863
PNG
(5-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pe...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CSCCCCC(O)=O)cc1
Show InChI InChI=1S/C24H38O5S/c1-2-3-4-5-6-7-8-10-17-28-22-13-15-23(16-14-22)29-19-21(25)20-30-18-11-9-12-24(26)27/h13-16H,2-12,17-20H2,1H3,(H,26,27)
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n/an/a 70n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110871
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-methoxy...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2OC)C(O)=O)cc1
Show InChI InChI=1S/C27H36O7/c1-3-4-5-6-7-8-9-10-17-32-23-12-14-24(15-13-23)33-19-22(28)20-34-25-16-11-21(27(29)30)18-26(25)31-2/h11-16,18H,3-10,17,19-20H2,1-2H3,(H,29,30)
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n/an/a 74n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110881
PNG
(4-(2-oxo-3-(4-(5-phenylpentylthio)phenoxy)propoxy)...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O5S/c28-23(19-31-24-12-10-22(11-13-24)27(29)30)20-32-25-14-16-26(17-15-25)33-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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n/an/a 80n/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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110854
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-3-nitro-b...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2[N+]([O-])=O)C(O)=O)cc1
Show InChI InChI=1S/C26H33NO8/c1-2-3-4-5-6-7-8-9-16-33-22-11-13-23(14-12-22)34-18-21(28)19-35-25-15-10-20(26(29)30)17-24(25)27(31)32/h10-15,17H,2-9,16,18-19H2,1H3,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110865
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxymethyl]-ben...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O6/c1-2-3-4-5-6-7-8-9-17-32-25-13-15-26(16-14-25)33-21-24(28)20-31-19-22-11-10-12-23(18-22)27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110878
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-bu...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CSCCCC(O)=O)cc1
Show InChI InChI=1S/C23H36O5S/c1-2-3-4-5-6-7-8-9-16-27-21-12-14-22(15-13-21)28-18-20(24)19-29-17-10-11-23(25)26/h12-15H,2-11,16-19H2,1H3,(H,25,26)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110853
PNG
(CHEMBL29246 | {3-[3-(4-Decyloxy-phenoxy)-2-oxo-pro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2cccc(OCC(O)=O)c2)cc1
Show InChI InChI=1S/C27H36O7/c1-2-3-4-5-6-7-8-9-17-31-23-13-15-24(16-14-23)32-19-22(28)20-33-25-11-10-12-26(18-25)34-21-27(29)30/h10-16,18H,2-9,17,19-21H2,1H3,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110889
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-butyric a...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCCCC(O)=O)cc1
Show InChI InChI=1S/C23H36O6/c1-2-3-4-5-6-7-8-9-17-28-21-12-14-22(15-13-21)29-19-20(24)18-27-16-10-11-23(25)26/h12-15H,2-11,16-19H2,1H3,(H,25,26)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110880
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pr...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CSCCC(O)=O)cc1
Show InChI InChI=1S/C22H34O5S/c1-2-3-4-5-6-7-8-9-15-26-20-10-12-21(13-11-20)27-17-19(23)18-28-16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110857
PNG
(4-[3-(4-Hexyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H26O6/c1-2-3-4-5-14-26-19-10-12-21(13-11-19)28-16-18(23)15-27-20-8-6-17(7-9-20)22(24)25/h6-13H,2-5,14-16H2,1H3,(H,24,25)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110877
PNG
(3-[2-Oxo-3-(4-tetradecyloxy-phenoxy)-propylsulfany...)
Show SMILES CCCCCCCCCCCCCCOc1ccc(OCC(=O)CSCCC(O)=O)cc1
Show InChI InChI=1S/C26H42O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-24-14-16-25(17-15-24)31-21-23(27)22-32-20-18-26(28)29/h14-17H,2-13,18-22H2,1H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110884
PNG
(4-[3-(4-Octyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C24H30O6/c1-2-3-4-5-6-7-16-28-21-12-14-23(15-13-21)30-18-20(25)17-29-22-10-8-19(9-11-22)24(26)27/h8-15H,2-7,16-18H2,1H3,(H,26,27)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110879
PNG
(4-{2-Oxo-3-[4-(5-phenyl-pentyloxy)-phenoxy]-propox...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C27H28O6/c28-23(19-32-25-12-10-22(11-13-25)27(29)30)20-33-26-16-14-24(15-17-26)31-18-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,10-17H,2,5-6,9,18-20H2,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110886
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propane-1-sulfonyl...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CS(=O)(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C22H34O7S/c1-2-3-4-5-6-7-8-9-15-28-20-10-12-21(13-11-20)29-17-19(23)18-30(26,27)16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110850
PNG
(CHEMBL281320 | {3-[3-(4-Decyloxy-benzyloxy)-2-oxo-...)
Show SMILES CCCCCCCCCCOc1ccc(COCC(=O)COc2cccc(CC(O)=O)c2)cc1
Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-17-33-26-15-13-23(14-16-26)20-32-21-25(29)22-34-27-12-10-11-24(18-27)19-28(30)31/h10-16,18H,2-9,17,19-22H2,1H3,(H,30,31)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110855
PNG
(3-[4-(4-Decyloxy-phenyl)-2-oxo-butoxy]-benzoic aci...)
Show SMILES CCCCCCCCCCOc1ccc(CCC(=O)COc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O5/c1-2-3-4-5-6-7-8-9-19-31-25-17-14-22(15-18-25)13-16-24(28)21-32-26-12-10-11-23(20-26)27(29)30/h10-12,14-15,17-18,20H,2-9,13,16,19,21H2,1H3,(H,29,30)
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AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110883
PNG
(3-[3-(3-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pr...)
Show SMILES CCCCCCCCCCOc1cccc(OCC(=O)CSCCC(O)=O)c1
Show InChI InChI=1S/C22H34O5S/c1-2-3-4-5-6-7-8-9-14-26-20-11-10-12-21(16-20)27-17-19(23)18-28-15-13-22(24)25/h10-12,16H,2-9,13-15,17-18H2,1H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50059523
PNG
((6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110882
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propane-1-sulfinyl...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CS(=O)CCC(O)=O)cc1
Show InChI InChI=1S/C22H34O6S/c1-2-3-4-5-6-7-8-9-15-27-20-10-12-21(13-11-20)28-17-19(23)18-29(26)16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110868
PNG
(4-{3-Oxo-4-[4-(5-phenyl-pentylsulfanyl)-phenoxy]-b...)
Show SMILES OC(=O)c1ccc(CCC(=O)COc2ccc(SCCCCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C28H30O4S/c29-25(15-12-23-10-13-24(14-11-23)28(30)31)21-32-26-16-18-27(19-17-26)33-20-6-2-5-9-22-7-3-1-4-8-22/h1,3-4,7-8,10-11,13-14,16-19H,2,5-6,9,12,15,20-21H2,(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110874
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propoxy]-propionic...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COCCC(O)=O)cc1
Show InChI InChI=1S/C22H34O6/c1-2-3-4-5-6-7-8-9-15-27-20-10-12-21(13-11-20)28-18-19(23)17-26-16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25)
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n/an/a 1.20E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110847
PNG
(4-[3-(4-Decyloxy-phenoxy)-2-hydroxy-propoxy]-benzo...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H36O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17,22,27H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110858
PNG
(CHEMBL284224 | [3-(4-Decyloxy-phenoxy)-2-oxo-propy...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CSCC(O)=O)cc1
Show InChI InChI=1S/C21H32O5S/c1-2-3-4-5-6-7-8-9-14-25-19-10-12-20(13-11-19)26-15-18(22)16-27-17-21(23)24/h10-13H,2-9,14-17H2,1H3,(H,23,24)
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n/an/a 1.40E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110849
PNG
(3-[3-(2-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pr...)
Show SMILES CCCCCCCCCCOc1ccccc1OCC(=O)CSCCC(O)=O
Show InChI InChI=1S/C22H34O5S/c1-2-3-4-5-6-7-8-11-15-26-20-12-9-10-13-21(20)27-17-19(23)18-28-16-14-22(24)25/h9-10,12-13H,2-8,11,14-18H2,1H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110848
PNG
(3-[3-(4-Decyloxy-phenoxy)-propylsulfanyl]-propioni...)
Show SMILES CCCCCCCCCCOc1ccc(OCCCSCCC(O)=O)cc1
Show InChI InChI=1S/C22H36O4S/c1-2-3-4-5-6-7-8-9-16-25-20-11-13-21(14-12-20)26-17-10-18-27-19-15-22(23)24/h11-14H,2-10,15-19H2,1H3,(H,23,24)
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n/an/a 1.90E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110855
PNG
(3-[4-(4-Decyloxy-phenyl)-2-oxo-butoxy]-benzoic aci...)
Show SMILES CCCCCCCCCCOc1ccc(CCC(=O)COc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C27H36O5/c1-2-3-4-5-6-7-8-9-19-31-25-17-14-22(15-18-25)13-16-24(28)21-32-26-12-10-11-23(20-26)27(29)30/h10-12,14-15,17-18,20H,2-9,13,16,19,21H2,1H3,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110880
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-oxo-propylsulfanyl]-pr...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)CSCCC(O)=O)cc1
Show InChI InChI=1S/C22H34O5S/c1-2-3-4-5-6-7-8-9-15-26-20-10-12-21(13-11-20)27-17-19(23)18-28-16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25)
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n/an/a 2.20E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110867
PNG
(4-[3-(4-Benzyloxy-phenoxy)-2-oxo-propoxy]-benzoic ...)
Show SMILES OC(=O)c1ccc(OCC(=O)COc2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C23H20O6/c24-19(15-28-20-8-6-18(7-9-20)23(25)26)16-29-22-12-10-21(11-13-22)27-14-17-4-2-1-3-5-17/h1-13H,14-16H2,(H,25,26)
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n/an/a 2.20E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110852
PNG
(3-{3-[4-(Naphthalen-2-ylmethoxy)-phenoxy]-2-oxo-pr...)
Show SMILES OC(=O)CCSCC(=O)COc1ccc(OCc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C23H22O5S/c24-20(16-29-12-11-23(25)26)15-28-22-9-7-21(8-10-22)27-14-17-5-6-18-3-1-2-4-19(18)13-17/h1-10,13H,11-12,14-16H2,(H,25,26)
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n/an/a 2.30E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110851
PNG
(4-{3-[4-(4-Methoxy-benzyloxy)-phenoxy]-2-oxo-propo...)
Show SMILES COc1ccc(COc2ccc(OCC(=O)COc3ccc(cc3)C(O)=O)cc2)cc1
Show InChI InChI=1S/C24H22O7/c1-28-20-6-2-17(3-7-20)14-29-22-10-12-23(13-11-22)31-16-19(25)15-30-21-8-4-18(5-9-21)24(26)27/h2-13H,14-16H2,1H3,(H,26,27)
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n/an/a>3.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110850
PNG
(CHEMBL281320 | {3-[3-(4-Decyloxy-benzyloxy)-2-oxo-...)
Show SMILES CCCCCCCCCCOc1ccc(COCC(=O)COc2cccc(CC(O)=O)c2)cc1
Show InChI InChI=1S/C28H38O6/c1-2-3-4-5-6-7-8-9-17-33-26-15-13-23(14-16-26)20-32-21-25(29)22-34-27-12-10-11-24(18-27)19-28(30)31/h10-16,18H,2-9,17,19-22H2,1H3,(H,30,31)
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n/an/a 3.30E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110890
PNG
(3-[3-(4-Decyloxy-phenoxy)-2-hydroxy-propylsulfanyl...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(O)CSCCC(O)=O)cc1
Show InChI InChI=1S/C22H36O5S/c1-2-3-4-5-6-7-8-9-15-26-20-10-12-21(13-11-20)27-17-19(23)18-28-16-14-22(24)25/h10-13,19,23H,2-9,14-18H2,1H3,(H,24,25)
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n/an/a 3.60E+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)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110870
PNG
(4-[3-(4-Butoxy-phenoxy)-2-oxo-propoxy]-benzoic aci...)
Show SMILES CCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C20H22O6/c1-2-3-12-24-17-8-10-19(11-9-17)26-14-16(21)13-25-18-6-4-15(5-7-18)20(22)23/h4-11H,2-3,12-14H2,1H3,(H,22,23)
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n/an/a 4.30E+3n/an/an/an/an/an/a



AstraZeneca R&D Charnwood

Curated by ChEMBL


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


J Med Chem 45: 1348-62 (2002)

More data for this
Ligand-Target Pair
Phospholipase A2 group 1VB


(Homo sapiens)
BDBM50110857
PNG
(4-[3-(4-Hexyloxy-phenoxy)-2-oxo-propoxy]-benzoic a...)
Show SMILES CCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C22H26O6/c1-2-3-4-5-14-26-19-10-12-21(13-11-19)28-16-18(23)15-27-20-8-6-17(7-9-20)22(24)25/h6-13H,2-5,14-16H2,1H3,(H,24,25)
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n/an/a 4.60E+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)

More data for this
Ligand-Target Pair
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