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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with Target = 'Group X secretory phospholipase A2' AND taxid = 10090   
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


(Mus musculus)
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 6n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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 20n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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 30n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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 35n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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 mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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 mouse recombinant sPLA2 G10


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


(Mus musculus)
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 mouse recombinant sPLA2 G10


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


(Mus musculus)
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 900n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
BDBM50256011
PNG
(1,1'-(2,4,6-trihydroxy-1,3-phenylene)didodecan-1-o...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)cc(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C30H50O5/c1-3-5-7-9-11-13-15-17-19-21-24(31)28-26(33)23-27(34)29(30(28)35)25(32)22-20-18-16-14-12-10-8-6-4-2/h23,33-35H,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 mouse sPLA2 group 10


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


(Mus musculus)
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 mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
BDBM50274337
PNG
(1-(3-Dodecanoyl-2,4,6-trihydroxy-5-methyl-phenyl)-...)
Show SMILES CCCCCCCCCCCC(=O)c1c(O)c(C)c(O)c(C(=O)CCCCCCCCCCC)c1O
Show InChI InChI=1S/C31H52O5/c1-4-6-8-10-12-14-16-18-20-22-25(32)27-29(34)24(3)30(35)28(31(27)36)26(33)23-21-19-17-15-13-11-9-7-5-2/h34-36H,4-23H2,1-3H3
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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 mouse sPLA2 group 10


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


(Mus musculus)
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 mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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 mouse group2X phospholipase A2 fluorimetric assay


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


(Mus musculus)
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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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 10


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


(Mus musculus)
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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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 10


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


(Mus musculus)
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 mouse sPLA2 group 10


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


(Mus musculus)
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 mouse sPLA2 group 10


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


(Mus musculus)
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 mouse sPLA2 group 10


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


(Mus musculus)
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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n/an/a>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 10


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


(Mus musculus)
BDBM50274441
PNG
(1-(3-Acetyl-5-dodecyl-2,4,6-trihydroxy-phenyl)-eth...)
Show SMILES CCCCCCCCCCCCc1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O
Show InChI InChI=1S/C22H34O5/c1-4-5-6-7-8-9-10-11-12-13-14-17-20(25)18(15(2)23)22(27)19(16(3)24)21(17)26/h25-27H,4-14H2,1-3H3
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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 mouse sPLA2 group 10


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


(Mus musculus)
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>1.60E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse sPLA2 group 10


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


(Mus musculus)
BDBM50055383
PNG
((3-Aminooxalyl-1-benzyl-2-methyl-1H-indol-4-yloxy)...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cccc2n1Cc1ccccc1
Show InChI InChI=1S/C20H18N2O5/c1-12-17(19(25)20(21)26)18-14(8-5-9-15(18)27-11-16(23)24)22(12)10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant sPLA2 G10


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


(Mus musculus)
BDBM50186586
PNG
(2-(3-(2-amino-2-oxoacetyl)-1-benzyl-2,6-dimethyl-1...)
Show SMILES Cc1c(C(=O)C(N)=O)c2c(OCC(O)=O)cc(C)cc2n1Cc1ccccc1
Show InChI InChI=1S/C21H20N2O5/c1-12-8-15-19(16(9-12)28-11-17(24)25)18(20(26)21(22)27)13(2)23(15)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3,(H2,22,27)(H,24,25)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant sPLA2 G10


Citation and Details
More data for this
Ligand-Target Pair