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Compile Data Set for Download or QSAR

Found 570 hits of ic50 for UniProtKB: P04054   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phospholipase A2


(Homo sapiens (Human))
BDBM50053109
PNG
(CHEMBL331755 | [1-Aminooxalyl-3-(2-benzyl-benzyl)-...)
Show SMILES CCc1c(Cc2ccccc2Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053136
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-methyl-indo...)
Show SMILES COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(C)c(C(=O)C(N)=O)c12
Show InChI InChI=1S/C27H24N2O5/c1-17-21(15-19-11-6-7-12-20(19)18-9-4-3-5-10-18)29-14-8-13-22(34-16-23(30)33-2)25(29)24(17)26(31)27(28)32/h3-14H,15-16H2,1-2H3,(H2,28,32)
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n/an/a 1.40n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053108
PNG
((1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy...)
Show SMILES Cc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H18N2O5/c1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26/h2-9H,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
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 3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053106
PNG
(CHEMBL120112 | [1-Aminooxalyl-2-ethyl-3-(3-trifluo...)
Show SMILES CCc1c(Cc2cccc(c2)C(F)(F)F)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C22H19F3N2O5/c1-2-14-15(10-12-5-3-6-13(9-12)22(23,24)25)27-8-4-7-16(32-11-17(28)29)19(27)18(14)20(30)21(26)31/h3-9H,2,10-11H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053102
PNG
(CHEMBL121245 | [1-Aminooxalyl-3-(3-chloro-benzyl)-...)
Show SMILES CCc1c(Cc2cccc(Cl)c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H19ClN2O5/c1-2-14-15(10-12-5-3-6-13(22)9-12)24-8-4-7-16(29-11-17(25)26)19(24)18(14)20(27)21(23)28/h3-9H,2,10-11H2,1H3,(H2,23,28)(H,25,26)
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n/an/a 3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053114
PNG
((1-Aminooxalyl-3-biphenyl-3-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2cccc(c2)-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-3-21-22(16-18-9-7-12-20(15-18)19-10-5-4-6-11-19)30-14-8-13-23(35-17-24(31)34-2)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 4.20n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053133
PNG
((1-Aminooxalyl-3-benzyl-2-ethyl-indolizin-8-yloxy)...)
Show SMILES CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H20N2O5/c1-2-14-15(11-13-7-4-3-5-8-13)23-10-6-9-16(28-12-17(24)25)19(23)18(14)20(26)21(22)27/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053123
PNG
((1-Aminooxalyl-2-ethyl-3-naphthalen-1-ylmethyl-ind...)
Show SMILES CCc1c(Cc2cccc3ccccc23)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C25H22N2O5/c1-2-17-19(13-16-9-5-8-15-7-3-4-10-18(15)16)27-12-6-11-20(32-14-21(28)29)23(27)22(17)24(30)25(26)31/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053096
PNG
(CHEMBL123774 | [1-Aminooxalyl-3-(4-butyl-benzyl)-2...)
Show SMILES CCCCc1ccc(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)cc1
Show InChI InChI=1S/C25H28N2O5/c1-3-5-7-16-9-11-17(12-10-16)14-19-18(4-2)22(24(30)25(26)31)23-20(32-15-21(28)29)8-6-13-27(19)23/h6,8-13H,3-5,7,14-15H2,1-2H3,(H2,26,31)(H,28,29)
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n/an/a 5n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053102
PNG
(CHEMBL121245 | [1-Aminooxalyl-3-(3-chloro-benzyl)-...)
Show SMILES CCc1c(Cc2cccc(Cl)c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H19ClN2O5/c1-2-14-15(10-12-5-3-6-13(22)9-12)24-8-4-7-16(29-11-17(25)26)19(24)18(14)20(27)21(23)28/h3-9H,2,10-11H2,1H3,(H2,23,28)(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053147
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-cyclopropyl...)
Show SMILES NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c12
Show InChI InChI=1S/C28H24N2O5/c29-28(34)27(33)25-24(18-12-13-18)21(30-14-6-11-22(26(25)30)35-16-23(31)32)15-19-9-4-5-10-20(19)17-7-2-1-3-8-17/h1-11,14,18H,12-13,15-16H2,(H2,29,34)(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053109
PNG
(CHEMBL331755 | [1-Aminooxalyl-3-(2-benzyl-benzyl)-...)
Show SMILES CCc1c(Cc2ccccc2Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-2-21-22(16-20-12-7-6-11-19(20)15-18-9-4-3-5-10-18)30-14-8-13-23(35-17-24(31)32)26(30)25(21)27(33)28(29)34/h3-14H,2,15-17H2,1H3,(H2,29,34)(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
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 6n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053095
PNG
((1-Aminooxalyl-2-ethyl-3-naphthalen-2-ylmethyl-ind...)
Show SMILES CCc1c(Cc2ccc3ccccc3c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C25H22N2O5/c1-2-18-19(13-15-9-10-16-6-3-4-7-17(16)12-15)27-11-5-8-20(32-14-21(28)29)23(27)22(18)24(30)25(26)31/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 7.30n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053108
PNG
((1-Aminooxalyl-3-benzyl-2-methyl-indolizin-8-yloxy...)
Show SMILES Cc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H18N2O5/c1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26/h2-9H,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 8n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053133
PNG
((1-Aminooxalyl-3-benzyl-2-ethyl-indolizin-8-yloxy)...)
Show SMILES CCc1c(Cc2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H20N2O5/c1-2-14-15(11-13-7-4-3-5-8-13)23-10-6-9-16(28-12-17(24)25)19(23)18(14)20(26)21(22)27/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 8n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053136
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-methyl-indo...)
Show SMILES COC(=O)COc1cccn2c(Cc3ccccc3-c3ccccc3)c(C)c(C(=O)C(N)=O)c12
Show InChI InChI=1S/C27H24N2O5/c1-17-21(15-19-11-6-7-12-20(19)18-9-4-3-5-10-18)29-14-8-13-22(34-16-23(30)33-2)25(29)24(17)26(31)27(28)32/h3-14H,15-16H2,1-2H3,(H2,28,32)
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n/an/a 8n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053114
PNG
((1-Aminooxalyl-3-biphenyl-3-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2cccc(c2)-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-3-21-22(16-18-9-7-12-20(15-18)19-10-5-4-6-11-19)30-14-8-13-23(35-17-24(31)34-2)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 9n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053106
PNG
(CHEMBL120112 | [1-Aminooxalyl-2-ethyl-3-(3-trifluo...)
Show SMILES CCc1c(Cc2cccc(c2)C(F)(F)F)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C22H19F3N2O5/c1-2-14-15(10-12-5-3-6-13(9-12)22(23,24)25)27-8-4-7-16(32-11-17(28)29)19(27)18(14)20(30)21(26)31/h3-9H,2,10-11H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 9n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053147
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-cyclopropyl...)
Show SMILES NC(=O)C(=O)c1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c12
Show InChI InChI=1S/C28H24N2O5/c29-28(34)27(33)25-24(18-12-13-18)21(30-14-6-11-22(26(25)30)35-16-23(31)32)15-19-9-4-5-10-20(19)17-7-2-1-3-8-17/h1-11,14,18H,12-13,15-16H2,(H2,29,34)(H,31,32)
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n/an/a 9n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053116
PNG
((1-Aminooxalyl-3-cyclohexylmethyl-2-methyl-indoliz...)
Show SMILES Cc1c(CC2CCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H24N2O5/c1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053140
PNG
((1-Aminooxalyl-3-[2,2']bithiophenyl-4-ylmethyl-2-e...)
Show SMILES CCc1c(Cc2csc(c2)-c2cccs2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C23H20N2O5S2/c1-2-14-15(9-13-10-18(32-12-13)17-6-4-8-31-17)25-7-3-5-16(30-11-19(26)27)21(25)20(14)22(28)23(24)29/h3-8,10,12H,2,9,11H2,1H3,(H2,24,29)(H,26,27)
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n/an/a 10n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053112
PNG
((1-Aminooxalyl-2-ethyl-3-thiophen-2-ylmethyl-indol...)
Show SMILES CCc1c(Cc2cccs2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C19H18N2O5S/c1-2-12-13(9-11-5-4-8-27-11)21-7-3-6-14(26-10-15(22)23)17(21)16(12)18(24)19(20)25/h3-8H,2,9-10H2,1H3,(H2,20,25)(H,22,23)
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n/an/a 11n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053140
PNG
((1-Aminooxalyl-3-[2,2']bithiophenyl-4-ylmethyl-2-e...)
Show SMILES CCc1c(Cc2csc(c2)-c2cccs2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C23H20N2O5S2/c1-2-14-15(9-13-10-18(32-12-13)17-6-4-8-31-17)25-7-3-5-16(30-11-19(26)27)21(25)20(14)22(28)23(24)29/h3-8,10,12H,2,9,11H2,1H3,(H2,24,29)(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053096
PNG
(CHEMBL123774 | [1-Aminooxalyl-3-(4-butyl-benzyl)-2...)
Show SMILES CCCCc1ccc(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)cc1
Show InChI InChI=1S/C25H28N2O5/c1-3-5-7-16-9-11-17(12-10-16)14-19-18(4-2)22(24(30)25(26)31)23-20(32-15-21(28)29)8-6-13-27(19)23/h6,8-13H,3-5,7,14-15H2,1-2H3,(H2,26,31)(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053139
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-methoxy-ind...)
Show SMILES COc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C26H22N2O6/c1-33-25-19(14-17-10-5-6-11-18(17)16-8-3-2-4-9-16)28-13-7-12-20(34-15-21(29)30)23(28)22(25)24(31)26(27)32/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053113
PNG
((3-Biphenyl-2-ylmethyl-1-carbamoylmethyl-2-cyclopr...)
Show SMILES NC(=O)Cc1c(C2CC2)c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c12
Show InChI InChI=1S/C28H26N2O4/c29-25(31)16-22-27(19-12-13-19)23(30-14-6-11-24(28(22)30)34-17-26(32)33)15-20-9-4-5-10-21(20)18-7-2-1-3-8-18/h1-11,14,19H,12-13,15-17H2,(H2,29,31)(H,32,33)
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n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053155
PNG
((1-Aminooxalyl-3-biphenyl-4-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccc(cc2)-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-20-21(15-17-10-12-19(13-11-17)18-7-4-3-5-8-18)29-14-6-9-22(34-16-23(30)31)25(29)24(20)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053104
PNG
((3-Benzyl-1-carbamoylmethyl-2-ethyl-indolizin-8-yl...)
Show SMILES CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1ccccc1
Show InChI InChI=1S/C21H22N2O4/c1-2-15-16(12-19(22)24)21-18(27-13-20(25)26)9-6-10-23(21)17(15)11-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3,(H2,22,24)(H,25,26)
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n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053112
PNG
((1-Aminooxalyl-2-ethyl-3-thiophen-2-ylmethyl-indol...)
Show SMILES CCc1c(Cc2cccs2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C19H18N2O5S/c1-2-12-13(9-11-5-4-8-27-11)21-7-3-6-14(26-10-15(22)23)17(21)16(12)18(24)19(20)25/h3-8H,2,9-10H2,1H3,(H2,20,25)(H,22,23)
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n/an/a 13n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053125
PNG
((3-Biphenyl-2-ylmethyl-1-carbamoylmethyl-2-ethyl-i...)
Show SMILES CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H26N2O4/c1-2-20-22(16-25(28)30)27-24(33-17-26(31)32)13-8-14-29(27)23(20)15-19-11-6-7-12-21(19)18-9-4-3-5-10-18/h3-14H,2,15-17H2,1H3,(H2,28,30)(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053141
PNG
((1-Aminooxalyl-3-cyclopentylmethyl-2-methyl-indoli...)
Show SMILES Cc1c(CC2CCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C19H22N2O5/c1-11-13(9-12-5-2-3-6-12)21-8-4-7-14(26-10-15(22)23)17(21)16(11)18(24)19(20)25/h4,7-8,12H,2-3,5-6,9-10H2,1H3,(H2,20,25)(H,22,23)
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n/an/a 14n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053125
PNG
((3-Biphenyl-2-ylmethyl-1-carbamoylmethyl-2-ethyl-i...)
Show SMILES CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1ccccc1-c1ccccc1
Show InChI InChI=1S/C27H26N2O4/c1-2-20-22(16-25(28)30)27-24(33-17-26(31)32)13-8-14-29(27)23(20)15-19-11-6-7-12-21(19)18-9-4-3-5-10-18/h3-14H,2,15-17H2,1H3,(H2,28,30)(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053154
PNG
(CHEMBL121199 | [1-Carbamoylmethyl-3-(3-chloro-benz...)
Show SMILES CCc1c(CC(N)=O)c2c(OCC(O)=O)cccn2c1Cc1cccc(Cl)c1
Show InChI InChI=1S/C21H21ClN2O4/c1-2-15-16(11-19(23)25)21-18(28-12-20(26)27)7-4-8-24(21)17(15)10-13-5-3-6-14(22)9-13/h3-9H,2,10-12H2,1H3,(H2,23,25)(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053139
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-methoxy-ind...)
Show SMILES COc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C26H22N2O6/c1-33-25-19(14-17-10-5-6-11-18(17)16-8-3-2-4-9-16)28-13-7-12-20(34-15-21(29)30)23(28)22(25)24(31)26(27)32/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
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n/an/a 15n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053116
PNG
((1-Aminooxalyl-3-cyclohexylmethyl-2-methyl-indoliz...)
Show SMILES Cc1c(CC2CCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H24N2O5/c1-12-14(10-13-6-3-2-4-7-13)22-9-5-8-15(27-11-16(23)24)18(22)17(12)19(25)20(21)26/h5,8-9,13H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053110
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-methylsulfa...)
Show SMILES CSc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C26H22N2O5S/c1-34-25-19(14-17-10-5-6-11-18(17)16-8-3-2-4-9-16)28-13-7-12-20(33-15-21(29)30)23(28)22(25)24(31)26(27)32/h2-13H,14-15H2,1H3,(H2,27,32)(H,29,30)
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n/an/a 16n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053120
PNG
((1-Aminooxalyl-3-biphenyl-2-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccccc2-c2ccccc2)n2cccc(OCC(=O)OC)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C28H26N2O5/c1-3-20-22(16-19-12-7-8-13-21(19)18-10-5-4-6-11-18)30-15-9-14-23(35-17-24(31)34-2)26(30)25(20)27(32)28(29)33/h4-15H,3,16-17H2,1-2H3,(H2,29,33)
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n/an/a 17n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053143
PNG
(CHEMBL123394 | [1-Aminooxalyl-2-ethyl-3-(2-methyl-...)
Show SMILES CCCC(C)Cc1c(CC)c(C(=O)C(N)=O)c2c(OCC(O)=O)cccn12
Show InChI InChI=1S/C20H26N2O5/c1-4-7-12(3)10-14-13(5-2)17(19(25)20(21)26)18-15(27-11-16(23)24)8-6-9-22(14)18/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H2,21,26)(H,23,24)
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n/an/a 17n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053095
PNG
((1-Aminooxalyl-2-ethyl-3-naphthalen-2-ylmethyl-ind...)
Show SMILES CCc1c(Cc2ccc3ccccc3c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C25H22N2O5/c1-2-18-19(13-15-9-10-16-6-3-4-7-17(16)12-15)27-11-5-8-20(32-14-21(28)29)23(27)22(18)24(30)25(26)31/h3-12H,2,13-14H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 17n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053155
PNG
((1-Aminooxalyl-3-biphenyl-4-ylmethyl-2-ethyl-indol...)
Show SMILES CCc1c(Cc2ccc(cc2)-c2ccccc2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C27H24N2O5/c1-2-20-21(15-17-10-12-19(13-11-17)18-7-4-3-5-8-18)29-14-6-9-22(34-16-23(30)31)25(29)24(20)26(32)27(28)33/h3-14H,2,15-16H2,1H3,(H2,28,33)(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053132
PNG
((1-Aminooxalyl-3-cyclopentylmethyl-2-ethyl-indoliz...)
Show SMILES CCc1c(CC2CCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H24N2O5/c1-2-13-14(10-12-6-3-4-7-12)22-9-5-8-15(27-11-16(23)24)18(22)17(13)19(25)20(21)26/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM82341
PNG
(hnpsPLA2-IIa Inhibitor, 2l)
Show SMILES OC(=O)CC[C@@H](Cc1ccc(OCc2cccc3ccccc23)cc1)NC(=O)CCCCCCc1ccccc1
Show InChI InChI=1S/C35H39NO4/c37-34(18-7-2-1-4-11-27-12-5-3-6-13-27)36-31(21-24-35(38)39)25-28-19-22-32(23-20-28)40-26-30-16-10-15-29-14-8-9-17-33(29)30/h3,5-6,8-10,12-17,19-20,22-23,31H,1-2,4,7,11,18,21,24-26H2,(H,36,37)(H,38,39)/t31-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



University of Queensland Brisbane



Assay Description
Compounds 2a-q were evaluated as inhibitors by using an in vitro colorimetric enzyme assay.


Chembiochem 4: 181-5 (2003)


Article DOI: 10.1002/cbic.200390029
BindingDB Entry DOI: 10.7270/Q28S4NDS
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053132
PNG
((1-Aminooxalyl-3-cyclopentylmethyl-2-ethyl-indoliz...)
Show SMILES CCc1c(CC2CCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C20H24N2O5/c1-2-13-14(10-12-6-3-4-7-12)22-9-5-8-15(27-11-16(23)24)18(22)17(13)19(25)20(21)26/h5,8-9,12H,2-4,6-7,10-11H2,1H3,(H2,21,26)(H,23,24)
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n/an/a 19n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053146
PNG
(CHEMBL331184 | [1-Aminooxalyl-2-ethyl-3-((S)-3-pen...)
Show SMILES CCCCC[C@H]1CCCC(Cc2c(CC)c(C(=O)C(N)=O)c3c(OCC(O)=O)cccn23)C1
Show InChI InChI=1S/C26H36N2O5/c1-3-5-6-9-17-10-7-11-18(14-17)15-20-19(4-2)23(25(31)26(27)32)24-21(33-16-22(29)30)12-8-13-28(20)24/h8,12-13,17-18H,3-7,9-11,14-16H2,1-2H3,(H2,27,32)(H,29,30)/t17-,18?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053098
PNG
((1-Aminooxalyl-3-cyclohexylmethyl-2-ethyl-indolizi...)
Show SMILES CCc1c(CC2CCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C21H26N2O5/c1-2-14-15(11-13-7-4-3-5-8-13)23-10-6-9-16(28-12-17(24)25)19(23)18(14)20(26)21(22)27/h6,9-10,13H,2-5,7-8,11-12H2,1H3,(H2,22,27)(H,24,25)
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n/an/a 21n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053153
PNG
(CHEMBL120553 | [1-Aminooxalyl-2-ethyl-3-(3-methoxy...)
Show SMILES CCc1c(Cc2cccc(OC)c2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C22H22N2O6/c1-3-15-16(11-13-6-4-7-14(10-13)29-2)24-9-5-8-17(30-12-18(25)26)20(24)19(15)21(27)22(23)28/h4-10H,3,11-12H2,1-2H3,(H2,23,28)(H,25,26)
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n/an/a 21n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053141
PNG
((1-Aminooxalyl-3-cyclopentylmethyl-2-methyl-indoli...)
Show SMILES Cc1c(CC2CCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C19H22N2O5/c1-11-13(9-12-5-2-3-6-12)21-8-4-7-14(26-10-15(22)23)17(21)16(11)18(24)19(20)25/h4,7-8,12H,2-3,5-6,9-10H2,1H3,(H2,20,25)(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC).


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
Phospholipase A2


(Homo sapiens (Human))
BDBM50053118
PNG
((1-Aminooxalyl-3-cycloheptylmethyl-2-ethyl-indoliz...)
Show SMILES CCc1c(CC2CCCCCC2)n2cccc(OCC(O)=O)c2c1C(=O)C(N)=O
Show InChI InChI=1S/C22H28N2O5/c1-2-15-16(12-14-8-5-3-4-6-9-14)24-11-7-10-17(29-13-18(25)26)20(24)19(15)21(27)22(23)28/h7,10-11,14H,2-6,8-9,12-13H2,1H3,(H2,23,28)(H,25,26)
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n/an/a 23n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay.


J Med Chem 39: 3636-58 (1996)


Article DOI: 10.1021/jm960395q
BindingDB Entry DOI: 10.7270/Q2NC609M
More data for this
Ligand-Target Pair
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