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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with Target = 'Group X secretory phospholipase A2' AND taxid = 9606   
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
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262998
PNG
(CHEMBL477548 | mesyl-2-(3-(2-amino-2-oxoacetyl)-1-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H27N3O6S/c1-15(2)12-18-22(23(29)24(25)30)21-17(27(18)13-16-8-5-4-6-9-16)10-7-11-19(21)33-14-20(28)26-34(3,31)32/h4-11,15H,12-14H2,1-3H3,(H2,25,30)(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to sPLA2X (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262998
PNG
(CHEMBL477548 | mesyl-2-(3-(2-amino-2-oxoacetyl)-1-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(C)(=O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H27N3O6S/c1-15(2)12-18-22(23(29)24(25)30)21-17(27(18)13-16-8-5-4-6-9-16)10-7-11-19(21)33-14-20(28)26-34(3,31)32/h4-11,15H,12-14H2,1-3H3,(H2,25,30)(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262804
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-isobutyl-1H-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C27H26N2O5/c1-16(2)12-20-23(26(32)27(28)33)24-21(34-15-22(30)31)13-18-10-6-7-11-19(18)25(24)29(20)14-17-8-4-3-5-9-17/h3-11,13,16H,12,14-15H2,1-2H3,(H2,28,33)(H,30,31)
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n/an/a 10n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262952
PNG
(CHEMBL514656 | o-tolyl-2-(3-(2-amino-2-oxoacetyl)-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3C)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C30H31N3O6S/c1-19(2)16-23-28(29(35)30(31)36)27-22(33(23)17-21-11-5-4-6-12-21)13-9-14-24(27)39-18-26(34)32-40(37,38)25-15-8-7-10-20(25)3/h4-15,19H,16-18H2,1-3H3,(H2,31,36)(H,32,34)
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n/an/a 11n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262950
PNG
(2-Chloro-Benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3Cl)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H28ClN3O6S/c1-18(2)15-22-27(28(35)29(31)36)26-21(33(22)16-19-9-4-3-5-10-19)12-8-13-23(26)39-17-25(34)32-40(37,38)24-14-7-6-11-20(24)30/h3-14,18H,15-17H2,1-2H3,(H2,31,36)(H,32,34)
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n/an/a 14n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262842
PNG
(Benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl)-1-benzy...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C27H25N3O6S/c1-2-20-25(26(32)27(28)33)24-21(30(20)16-18-10-5-3-6-11-18)14-9-15-22(24)36-17-23(31)29-37(34,35)19-12-7-4-8-13-19/h3-15H,2,16-17H2,1H3,(H2,28,33)(H,29,31)
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n/an/a 15n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263002
PNG
((2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-6,7-benz...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C25H22N2O5/c1-2-18-21(24(30)25(26)31)22-19(32-14-20(28)29)12-16-10-6-7-11-17(16)23(22)27(18)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262843
PNG
(Benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl)-1-benzy...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H29N3O6S/c1-19(2)16-23-27(28(34)29(30)35)26-22(32(23)17-20-10-5-3-6-11-20)14-9-15-24(26)38-18-25(33)31-39(36,37)21-12-7-4-8-13-21/h3-15,19H,16-18H2,1-2H3,(H2,30,35)(H,31,33)
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n/an/a>21n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50055391
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-1H-ind...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC(C)C(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-19(20(25)21(23)26)18-16(24(15)12-14-8-5-4-6-9-14)10-7-11-17(18)29-13(2)22(27)28/h4-11,13H,3,12H2,1-2H3,(H2,23,26)(H,27,28)
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n/an/a 22n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262999
PNG
(CHEMBL477549 | trifluoromesyl-2-(3-(2-amino-2-oxoa...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)C(F)(F)F)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H24F3N3O6S/c1-14(2)11-17-21(22(32)23(28)33)20-16(30(17)12-15-7-4-3-5-8-15)9-6-10-18(20)36-13-19(31)29-37(34,35)24(25,26)27/h3-10,14H,11-13H2,1-2H3,(H2,28,33)(H,29,31)
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n/an/a 30n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263001
PNG
(2-(1-benzyl-2-isobutyl-1H-6,7-benzoindol-4-yloxy)-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C33H31N3O6S/c1-21(2)17-26-29(32(38)33(34)39)30-27(42-20-28(37)35-43(40,41)24-14-7-4-8-15-24)18-23-13-9-10-16-25(23)31(30)36(26)19-22-11-5-3-6-12-22/h3-16,18,21H,17,19-20H2,1-2H3,(H2,34,39)(H,35,37)
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n/an/a 30n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262844
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-isobutyl-1H-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C23H24N2O5/c1-14(2)11-17-21(22(28)23(24)29)20-16(9-6-10-18(20)30-13-19(26)27)25(17)12-15-7-4-3-5-8-15/h3-10,14H,11-13H2,1-2H3,(H2,24,29)(H,26,27)
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n/an/a 50n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031106
PNG
(CHEMBL3337975)
Show SMILES CC(C)c1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C12H15N3OS/c1-6(2)11-4-8(7(3)17-11)9-5-10(12(13)16)15-14-9/h4-6H,1-3H3,(H2,13,16)(H,14,15)
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n/an/a>51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262953
PNG
(2-trifluoromethyl-Benzenesulfonyl-2-(3-(2-amino-2-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C30H28F3N3O6S/c1-18(2)15-22-27(28(38)29(34)39)26-21(36(22)16-19-9-4-3-5-10-19)12-8-13-23(26)42-17-25(37)35-43(40,41)24-14-7-6-11-20(24)30(31,32)33/h3-14,18H,15-17H2,1-2H3,(H2,34,39)(H,35,37)
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n/an/a 70n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50186585
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2-ethyl-6-meth...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc(C)cc2n1Cc1ccccc1
Show InChI InChI=1S/C22H22N2O5/c1-3-15-20(21(27)22(23)28)19-16(24(15)11-14-7-5-4-6-8-14)9-13(2)10-17(19)29-12-18(25)26/h4-10H,3,11-12H2,1-2H3,(H2,23,28)(H,25,26)
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n/an/a 75n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sPLA2 G10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50055366
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 75n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human recombinant sPLA2 G10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50055366
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 75n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262892
PNG
(2-(3-(2-amino-2-oxoxacetyl)-1-1-benzyl-2-isobutyl-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C30H31N3O6S/c1-19(2)17-24-27(28(34)29(31)35)26-23(33(24)18-21-11-6-4-7-12-21)15-10-16-25(26)39-20(3)30(36)32-40(37,38)22-13-8-5-9-14-22/h4-16,19-20H,17-18H2,1-3H3,(H2,31,35)(H,32,36)
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n/an/a 80n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263000
PNG
(2-(1-benzyl-2-ethyl-1H-6,7-benzoindol-4-yloxy)-N-(...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C31H27N3O6S/c1-2-24-27(30(36)31(32)37)28-25(40-19-26(35)33-41(38,39)22-14-7-4-8-15-22)17-21-13-9-10-16-23(21)29(28)34(24)18-20-11-5-3-6-12-20/h3-17H,2,18-19H2,1H3,(H2,32,37)(H,33,35)
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n/an/a 90n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50055366
PNG
((3-Aminooxalyl-1-benzyl-2-ethyl-1H-indol-4-yloxy)-...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 107n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50040455
PNG
((S)-4-(4-Benzyl-phenylsulfanyl)-3-((S)-(E)-dec-3-e...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc(Cc2ccccc2)cc1)CC(O)=O
Show InChI InChI=1S/C27H35NO3S/c1-2-3-4-5-6-7-11-14-26(29)28-24(20-27(30)31)21-32-25-17-15-23(16-18-25)19-22-12-9-8-10-13-22/h7-13,15-18,24H,2-6,14,19-21H2,1H3,(H,28,29)(H,30,31)/b11-7+/t24-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)

More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262894
PNG
(3-Chloro-Benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3cccc(Cl)c3)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H28ClN3O6S/c1-18(2)14-23-27(28(35)29(31)36)26-22(33(23)16-19-8-4-3-5-9-19)12-7-13-24(26)39-17-25(34)32-40(37,38)21-11-6-10-20(30)15-21/h3-13,15,18H,14,16-17H2,1-2H3,(H2,31,36)(H,32,34)
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n/an/a 140n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031105
PNG
(CHEMBL3337976)
Show SMILES Cc1sc2ccccc2c1-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C13H11N3OS/c1-7-12(8-4-2-3-5-11(8)18-7)9-6-10(13(14)17)16-15-9/h2-6H,1H3,(H2,14,17)(H,15,16)
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n/an/a 174n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274336
PNG
(1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C2CC(Oc3cc(O)ccc23)c2ccc(O)cc2)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3
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n/an/a 200n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of sPLA2 group 10 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031107
PNG
(CHEMBL3337972)
Show SMILES Cc1cc(c(C)s1)-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C10H11N3OS/c1-5-3-7(6(2)15-5)8-4-9(10(11)14)13-12-8/h3-4H,1-2H3,(H2,11,14)(H,12,13)
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n/an/a 316n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262951
PNG
(CHEMBL475071 | tosyl-2-(3-(2-amino-2-oxoacetyl)-1-...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccc(C)cc3)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C30H31N3O6S/c1-19(2)16-24-28(29(35)30(31)36)27-23(33(24)17-21-8-5-4-6-9-21)10-7-11-25(27)39-18-26(34)32-40(37,38)22-14-12-20(3)13-15-22/h4-15,19H,16-18H2,1-3H3,(H2,31,36)(H,32,34)
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n/an/a 320n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031104
PNG
(CHEMBL3337977)
Show SMILES Cc1sc(cc1-c1cc(n[nH]1)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c1-9-11(12-8-13(15(16)19)18-17-12)7-14(20-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,19)(H,17,18)
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n/an/a 347n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50040458
PNG
((S)-4-((S)-(E)-Dec-3-enoylamino)-5-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@@H](CCC(O)=O)CSc1ccc2ccccc2c1
Show InChI InChI=1S/C25H33NO3S/c1-2-3-4-5-6-7-8-13-24(27)26-22(15-17-25(28)29)19-30-23-16-14-20-11-9-10-12-21(20)18-23/h7-12,14,16,18,22H,2-6,13,15,17,19H2,1H3,(H,26,27)(H,28,29)/b8-7+/t22-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)

More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031103
PNG
(CHEMBL3337978)
Show SMILES NC(=O)c1cc([nH]n1)-c1cc(Cl)sc1Cl
Show InChI InChI=1S/C8H5Cl2N3OS/c9-6-1-3(7(10)15-6)4-2-5(8(11)14)13-12-4/h1-2H,(H2,11,14)(H,12,13)
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50262893
PNG
(4-Chloro-Benzenesulfonyl-2-(3-(2-amino-2-oxoacetyl...)
Show SMILES CC(C)Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C29H28ClN3O6S/c1-18(2)15-23-27(28(35)29(31)36)26-22(33(23)16-19-7-4-3-5-8-19)9-6-10-24(26)39-17-25(34)32-40(37,38)21-13-11-20(30)12-14-21/h3-14,18H,15-17H2,1-2H3,(H2,31,36)(H,32,34)
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n/an/a 540n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031102
PNG
(CHEMBL3337979)
Show SMILES Cc1sccc1-c1cc(n[nH]1)C(N)=O
Show InChI InChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)7-4-8(9(10)13)12-11-7/h2-4H,1H3,(H2,10,13)(H,11,12)
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n/an/a 631n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50040464
PNG
((S)-3-((S)-(E)-Dec-3-enoylamino)-4-(naphthalen-2-y...)
Show SMILES CCCCCC\C=C\CC(=O)N[C@H](CSc1ccc2ccccc2c1)CC(O)=O
Show InChI InChI=1S/C24H31NO3S/c1-2-3-4-5-6-7-8-13-23(26)25-21(17-24(27)28)18-29-22-15-14-19-11-9-10-12-20(19)16-22/h7-12,14-16,21H,2-6,13,17-18H2,1H3,(H,25,26)(H,27,28)/b8-7+/t21-/m0/s1
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n/an/a 790n/an/an/an/an/an/a



Fisons plc

Curated by ChEMBL


Assay Description
In vitro activity against porcine pancreatic phospholipase-A2 (PLA2) and micellar substrate with deoxycholate (DOC)


J Med Chem 37: 557-9 (1994)

More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031113
PNG
(CHEMBL3337983)
Show SMILES Cc1cc(c(C)s1)-c1cc(nn1C)C(N)=O
Show InChI InChI=1S/C11H13N3OS/c1-6-4-8(7(2)16-6)10-5-9(11(12)15)13-14(10)3/h4-5H,1-3H3,(H2,12,15)
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n/an/a 851n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031112
PNG
(CHEMBL3337982)
Show SMILES Cc1sc2ccccc2c1-c1cc(nn1C)C(N)=O
Show InChI InChI=1S/C14H13N3OS/c1-8-13(9-5-3-4-6-12(9)19-8)11-7-10(14(15)18)16-17(11)2/h3-7H,1-2H3,(H2,15,18)
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n/an/a 851n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50206910
PNG
((+/-)-1-O-(4-cyanomethylphenyl)-3-O-[4-(4,5-dihydr...)
Show SMILES CCCCCCCCCCCCCCCCCCOC(COCc1ccc(cc1)C#N)COc1ccc(Cc2nc(=O)o[nH]2)cc1
Show InChI InChI=1S/C38H55N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26-44-36(30-43-29-34-20-18-33(28-39)19-21-34)31-45-35-24-22-32(23-25-35)27-37-40-38(42)46-41-37/h18-25,36H,2-17,26-27,29-31H2,1H3,(H,40,41,42)
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n/an/a 900n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group X PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50101026
PNG
(2-(6-Methoxy-2-phenoxy-quinolin-4-yl)-acetamide | ...)
Show SMILES COc1ccc2nc(Oc3ccccc3)cc(CC(N)=O)c2c1
Show InChI InChI=1S/C18H16N2O3/c1-22-14-7-8-16-15(11-14)12(9-17(19)21)10-18(20-16)23-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H2,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against secretory Phospholipase A2 (s-PLA2) of Naja naja


Bioorg Med Chem Lett 11: 1639-41 (2001)

More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50206911
PNG
((+/+)-1-O-decyl-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H...)
Show SMILES CCCCCCCCCCCCCCOC(COCCCCCCCCCC)COc1ccc(cc1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C35H60N2O5/c1-3-5-7-9-11-13-14-15-16-18-20-22-28-40-33(29-39-27-21-19-17-12-10-8-6-4-2)30-41-32-25-23-31(24-26-32)34-36-35(38)42-37-34/h23-26,33H,3-22,27-30H2,1-2H3,(H,36,37,38)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group X PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50031114
PNG
(CHEMBL3337984)
Show SMILES Cc1sc(cc1-c1cc(nn1C)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C16H15N3OS/c1-10-12(14-9-13(16(17)20)18-19(14)2)8-15(21-10)11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,17,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2X using 1,2-bis(heptanoylthio) glycerophosphocholine substrate incubated for 30 mins


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50206920
PNG
((+/-)-3-O-[4-(4,5-dihydro-5-oxo-1,2,4-4H-oxadiazol...)
Show SMILES CCCCCCCCCCCCCCOC(COc1ccc(cc1)-c1nc(=O)o[nH]1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C44H54N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-22-33-48-41(34-49-40-31-29-36(30-32-40)42-45-43(47)51-46-42)35-50-44(37-23-16-13-17-24-37,38-25-18-14-19-26-38)39-27-20-15-21-28-39/h13-21,23-32,41H,2-12,22,33-35H2,1H3,(H,45,46,47)
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n/an/a 1.25E+3n/an/an/an/an/an/a



Université Paris7-Denis Diderot

Curated by ChEMBL


Assay Description
Inhibition of human group X PLA2 in [3H]oleate-labeled Escherichia coli membrane by radiometric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263003
PNG
(2-(2-ethyl-3-(o-phenylbenzyl)-8-(2-oxopropoxy)indo...)
Show SMILES CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1
Show InChI InChI=1S/C24H22N2O3/c1-3-18-20(23(27)24(25)28)21-19(29-2)13-16-11-7-8-12-17(16)22(21)26(18)14-15-9-5-4-6-10-15/h4-13H,3,14H2,1-2H3,(H2,25,28)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263051
PNG
(2-(1-(2-amino-2-oxoacetyl)-2-(isobutyl)-3-(ophenyl...)
Show SMILES CC(C)Cc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C29H28N2O5/c1-18(2)15-22-23(16-20-11-6-7-12-21(20)19-9-4-3-5-10-19)31-14-8-13-24(36-17-25(32)33)27(31)26(22)28(34)29(30)35/h3-14,18H,15-17H2,1-2H3,(H2,30,35)(H,32,33)
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50053137
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-19-21(15-18-11-6-7-12-20(18)17-9-4-3-5-10-17)29-14-8-13-22(34-16-23(30)31)25(29)24(19)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263052
PNG
(2-[3-Biphenyl-2-ylmethyl-2-ethyl-8-(2-oxo-propoxy)...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(C)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O4/c1-3-21-23(16-20-12-7-8-13-22(20)19-10-5-4-6-11-19)30-15-9-14-24(34-17-18(2)31)26(30)25(21)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33)
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50263053
PNG
(2-(3-Biphenyl-2-ylmethyl-2-ethyl-8-methoxy-indoliz...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OC)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C26H24N2O3/c1-3-19-21(16-18-12-7-8-13-20(18)17-10-5-4-6-11-17)28-15-9-14-22(31-2)24(28)23(19)25(29)26(27)30/h4-15H,3,16H2,1-2H3,(H2,27,30)
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human group2X phospholipase A2 fluorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274390
PNG
(1-(5-Dodecanoyl-2,4-dihydroxy-phenyl)-dodecan-1-on...)
Show SMILES CCCCCCCCCCCC(=O)c1cc(C(=O)CCCCCCCCCCC)c(O)cc1O
Show InChI InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-19-21-27(31)25-23-26(30(34)24-29(25)33)28(32)22-20-18-16-14-12-10-8-6-4-2/h23-24,33-34H,3-22H2,1-2H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274389
PNG
(1-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)dodeca...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
Show InChI InChI=1S/C21H32O5/c1-4-5-6-7-8-9-10-11-12-13-16(23)18-20(25)14(2)19(24)17(15(3)22)21(18)26/h24-26H,4-13H2,1-3H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274388
PNG
(2-Phenyl-1-(2,4,6-trihydroxy-3-methyl-5-phenylacet...)
Show SMILES Cc1c(O)c(C(=O)Cc2ccccc2)c(O)c(C(=O)Cc2ccccc2)c1O
Show InChI InChI=1S/C23H20O5/c1-14-21(26)19(17(24)12-15-8-4-2-5-9-15)23(28)20(22(14)27)18(25)13-16-10-6-3-7-11-16/h2-11,26-28H,12-13H2,1H3
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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274387
PNG
(1-(3-Acetyl-2,4,6-trihydroxy-5-methyl-phenyl)-etha...)
Show SMILES CC(=O)c1c(O)c(C)c(O)c(C(C)=O)c1O
Show InChI InChI=1S/C11H12O5/c1-4-9(14)7(5(2)12)11(16)8(6(3)13)10(4)15/h14-16H,1-3H3
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PubMed
n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274442
PNG
(1-(3-Dodecanoyl-2-hydroxy-5-methyl-phenyl)-dodecan...)
Show SMILES CCCCCCCCCCCC(=O)c1cc(C)cc(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O3/c1-4-6-8-10-12-14-16-18-20-22-29(32)27-24-26(3)25-28(31(27)34)30(33)23-21-19-17-15-13-11-9-7-5-2/h24-25,34H,4-23H2,1-3H3
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PubMed
n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Citation and Details
More data for this
Ligand-Target Pair
Group X secretory phospholipase A2


(Homo sapiens)
BDBM50274391
PNG
(1-(3-dodecyl-2,4,6-trihydroxyphenyl)dodecan-1-one ...)
Show SMILES CCCCCCCCCCCCc1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C30H52O4/c1-3-5-7-9-11-13-15-16-18-20-22-25-27(32)24-28(33)29(30(25)34)26(31)23-21-19-17-14-12-10-8-6-4-2/h24,32-34H,3-23H2,1-2H3
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PubMed
n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human sPLA2 group 10


Citation and Details
More data for this
Ligand-Target Pair
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