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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'magrioti' and Initial = 'v'   
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
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50274152
PNG
((2S,9Z)-octadec-9-ene-1,2-diamine dihydrochloride ...)
Show SMILES CCCCCCCC\C=C/CCCCCC[C@H](N)CN |r|
Show InChI InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17,19-20H2,1H3/b10-9-/t18-/m0/s1
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2.18E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MGL


Bioorg Med Chem Lett 18: 5424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.039
BindingDB Entry DOI: 10.7270/Q2VM4C30
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50274153
PNG
((2R,9Z)-octadec-9-ene-1,2-diamine dihydrochloride ...)
Show SMILES CCCCCCCC\C=C/CCCCCC[C@@H](N)CN |r|
Show InChI InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h9-10,18H,2-8,11-17,19-20H2,1H3/b10-9-/t18-/m1/s1
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3.90E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MGL


Bioorg Med Chem Lett 18: 5424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.039
BindingDB Entry DOI: 10.7270/Q2VM4C30
More data for this
Ligand-Target Pair
Monoglyceride lipase (MGL)


(Rattus norvegicus (Rat))
BDBM50274151
PNG
(CHEMBL473249 | hexadecane-1,2-diamine dihydrochlor...)
Show SMILES CCCCCCCCCCCCCCC(N)CN
Show InChI InChI=1S/C16H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17/h16H,2-15,17-18H2,1H3
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5.87E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat MGL


Bioorg Med Chem Lett 18: 5424-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.039
BindingDB Entry DOI: 10.7270/Q2VM4C30
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Mus musculus)
BDBM50333788
PNG
((S)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50023445
PNG
(CHEMBL3329874)
Show SMILES CCCCCCCCc1ccc(OCC(=O)c2nc(cs2)C(=O)OCC)cc1
Show InChI InChI=1S/C22H29NO4S/c1-3-5-6-7-8-9-10-17-11-13-18(14-12-17)27-15-20(24)21-23-19(16-28-21)22(25)26-4-2/h11-14,16H,3-10,15H2,1-2H3
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n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GIVA cPLA2 in vitro vesicle assay


J Med Chem 57: 7523-35 (2014)


Article DOI: 10.1021/jm500192s
BindingDB Entry DOI: 10.7270/Q2HD7X7C
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333788
PNG
((S)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V)


(Homo sapiens (Human))
BDBM50333788
PNG
((S)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m0/s1
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n/an/a 440n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50023444
PNG
(CHEMBL3329869 | US9597318, Code GK185)
Show SMILES CCCCCCCCc1ccc(OCC(=O)c2nccs2)cc1
Show InChI InChI=1S/C19H25NO2S/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)22-15-18(21)19-20-13-14-23-19/h9-14H,2-8,15H2,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GIVA cPLA2 in vitro vesicle assay


J Med Chem 57: 7523-35 (2014)


Article DOI: 10.1021/jm500192s
BindingDB Entry DOI: 10.7270/Q2HD7X7C
More data for this
Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V)


(Homo sapiens (Human))
BDBM50333789
PNG
((R)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333791
PNG
((S)-2-(2-Oxohexadecanamido)-3-phenylpropanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23(27)24(28)26-22(25(29)30)20-21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,26,28)(H,29,30)/t22-/m0/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333790
PNG
((S)-4-Methyl-2-palmitamidopentanoic acid | CHEMBL1...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V)


(Homo sapiens (Human))
BDBM50333791
PNG
((S)-2-(2-Oxohexadecanamido)-3-phenylpropanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23(27)24(28)26-22(25(29)30)20-21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,26,28)(H,29,30)/t22-/m0/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens (Human))
BDBM50333791
PNG
((S)-2-(2-Oxohexadecanamido)-3-phenylpropanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C25H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-23(27)24(28)26-22(25(29)30)20-21-17-14-13-15-18-21/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,26,28)(H,29,30)/t22-/m0/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens (Human))
BDBM50333790
PNG
((S)-4-Methyl-2-palmitamidopentanoic acid | CHEMBL1...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens (Human))
BDBM50333789
PNG
((R)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m1/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 10 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V)


(Homo sapiens (Human))
BDBM50333790
PNG
((S)-4-Methyl-2-palmitamidopentanoic acid | CHEMBL1...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)23-20(22(25)26)18-19(2)3/h19-20H,4-18H2,1-3H3,(H,23,24)(H,25,26)/t20-/m0/s1
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n/an/a>1.66E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 5 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333789
PNG
((R)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m1/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50023444
PNG
(CHEMBL3329869 | US9597318, Code GK185)
Show SMILES CCCCCCCCc1ccc(OCC(=O)c2nccs2)cc1
Show InChI InChI=1S/C19H25NO2S/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)22-15-18(21)19-20-13-14-23-19/h9-14H,2-8,15H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Phospholipase A2 group V


(Mus musculus)
BDBM50333788
PNG
((S)-4-Methyl-2-(2-oxohexadecanamido)pentanoic acid...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1S/C22H41NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)23-19(22(26)27)17-18(2)3/h18-19H,4-17H2,1-3H3,(H,23,25)(H,26,27)/t19-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse group 5 sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM301780
PNG
(5-Phenyl-1-(thiazol-2-yl)pentan-1-one | US9597318...)
Show SMILES O=C(CCCCc1ccccc1)c1nccs1
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n/an/a 3.05E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM301781
PNG
(4-(4-Octylphenoxy)-1-(thiazol-2-yl)butan-1-one | ...)
Show SMILES CCCCCCCCc1ccc(OCCCC(=O)c2nccs2)cc1
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n/an/a 3.65E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM301782
PNG
(2-Fluoro-5-(4-(hexyloxy)phenyl)-1-(thiazol-2-yl)pe...)
Show SMILES CCCCCCOc1ccc(CCCC(F)C(=O)c2nccs2)cc1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333792
PNG
(2-(2-Oxohexadecanamido)acetic acid . | CHEMBL16445...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)NCC(O)=O
Show InChI InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(20)18(23)19-15-17(21)22/h2-15H2,1H3,(H,19,23)(H,21,22)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM301777
PNG
(US9597318, Code GK159)
Show SMILES O=C(CCCCc1ccccc1)c1nc2ccccc2s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM301776
PNG
(US9597318, Code GK152)
Show SMILES CCOC(=O)c1csc(n1)C(=O)CCCCc1ccccc1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333793
PNG
(3-(2-Oxohexadecanamido)propanoic acid | CHEMBL1644...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)NCCC(O)=O
Show InChI InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)19(24)20-16-15-18(22)23/h2-16H2,1H3,(H,20,24)(H,22,23)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM301778
PNG
(US9597318, Code GK160)
Show SMILES CCCCCCCCCCCCCCC(=O)c1nc(cs1)C(O)=O
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n/an/a 7.20E+3n/an/an/an/an/an/a



Avexxin AS

US Patent




US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50333787
PNG
(5-(2-Oxohexadecanamido)pentanoic acid | CHEMBL1644...)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C21H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19(23)21(26)22-18-15-14-17-20(24)25/h2-18H2,1H3,(H,22,26)(H,24,25)
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n/an/a 1.17E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A sPLA2 by fluorescence assay


Bioorg Med Chem 19: 735-43 (2011)


Article DOI: 10.1016/j.bmc.2010.12.030
BindingDB Entry DOI: 10.7270/Q2JM29VG
More data for this
Ligand-Target Pair