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Compile Data Set for Download or QSAR

Found 52 hits with Last Name = 'kokotos' and Initial = 'g'   
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
Cholecystokinin receptor


(RAT)
BDBM50278373
PNG
(2(R)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278305
PNG
(2(R)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O4/c1-13(2)11-19(22(28)29)25-20(26)15-8-4-6-10-17(15)24-21(27)18-12-14-7-3-5-9-16(14)23-18/h3-10,12-13,19,23H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278071
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES CSCCC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 52n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Mus musculus)
BDBM50149981
PNG
(CHEMBL3769794)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H22BrN5O5S/c1-26-23(32)18(12-21(30)29-20-11-10-16(24)13-27-20)28-22(31)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,33)34/h2-11,13,18H,12H2,1H3,(H,26,32)(H,28,31)(H2,25,33,34)(H,27,29,30)
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n/an/a 68n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse group 2A secreted phospholipase A2 by fluorescence assay


Bioorg Med Chem 24: 1683-95 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ12WP
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278817
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES CC(C)CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C22H23N3O4/c1-13(2)11-19(22(28)29)25-20(26)15-8-4-6-10-17(15)24-21(27)18-12-14-7-3-5-9-16(14)23-18/h3-10,12-13,19,23H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/a 83n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278072
PNG
(2-(R,S)-{2-[(1-Methyl-1H-indole-2-carbonyl)-amino]...)
Show SMILES CSCCC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1C)C(O)=O
Show InChI InChI=1S/C22H23N3O4S/c1-25-18-10-6-3-7-14(18)13-19(25)21(27)23-16-9-5-4-8-15(16)20(26)24-17(22(28)29)11-12-30-2/h3-10,13,17H,11-12H2,1-2H3,(H,23,27)(H,24,26)(H,28,29)
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n/an/a 92n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50149981
PNG
(CHEMBL3769794)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H22BrN5O5S/c1-26-23(32)18(12-21(30)29-20-11-10-16(24)13-27-20)28-22(31)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,33)34/h2-11,13,18H,12H2,1H3,(H,26,32)(H,28,31)(H2,25,33,34)(H,27,29,30)
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n/an/a 143n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A secreted phospholipase A2 by fluorescence assay


Bioorg Med Chem 24: 1683-95 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ12WP
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
Cholecystokinin receptor


(RAT)
BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 197n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278816
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES CC(C)C(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C21H21N3O4/c1-12(2)18(21(27)28)24-19(25)14-8-4-6-10-16(14)23-20(26)17-11-13-7-3-5-9-15(13)22-17/h3-12,18,22H,1-2H3,(H,23,26)(H,24,25)(H,27,28)
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n/an/a 288n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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
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
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
Cholecystokinin receptor


(RAT)
BDBM50278135
PNG
(2-(R,S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoyla...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C27H22N4O4/c32-25(31-24(27(34)35)14-17-15-28-21-11-5-2-8-18(17)21)19-9-3-6-12-22(19)30-26(33)23-13-16-7-1-4-10-20(16)29-23/h1-13,15,24,28-29H,14H2,(H,30,33)(H,31,32)(H,34,35)
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n/an/a 445n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278199
PNG
((2R,S)-3-(4-Benzyloxy-phenyl)-2-{2-[(1H-indole-2-c...)
Show SMILES OC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C32H27N3O5/c36-30(25-11-5-7-13-27(25)34-31(37)28-19-23-10-4-6-12-26(23)33-28)35-29(32(38)39)18-21-14-16-24(17-15-21)40-20-22-8-2-1-3-9-22/h1-17,19,29,33H,18,20H2,(H,34,37)(H,35,36)(H,38,39)
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n/an/a 1.16E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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))
BDBM50149981
PNG
(CHEMBL3769794)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O |r|
Show InChI InChI=1S/C23H22BrN5O5S/c1-26-23(32)18(12-21(30)29-20-11-10-16(24)13-27-20)28-22(31)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,33)34/h2-11,13,18H,12H2,1H3,(H,26,32)(H,28,31)(H2,25,33,34)(H,27,29,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 5 secreted phospholipase A2 by fluorescence assay


Bioorg Med Chem 24: 1683-95 (2016)


BindingDB Entry DOI: 10.7270/Q2JQ12WP
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
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
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))
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
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
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))
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
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
Cholecystokinin receptor


(RAT)
BDBM50278198
PNG
((2R,S)-3-(4-Hydroxy-phenyl)-2-{2-[(1H-indole-2-car...)
Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O5/c29-17-11-9-15(10-12-17)13-22(25(32)33)28-23(30)18-6-2-4-8-20(18)27-24(31)21-14-16-5-1-3-7-19(16)26-21/h1-12,14,22,26,29H,13H2,(H,27,31)(H,28,30)(H,32,33)
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n/an/a 2.07E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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
Cholecystokinin receptor


(RAT)
BDBM50278372
PNG
(2(S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CSCC[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-/m0/s1
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n/an/a 2.75E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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

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US Patent US9597318 (2017)


BindingDB Entry DOI: 10.7270/Q2HH6N4C
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50278248
PNG
((1R,S)-1H-Indole-2-carboxylic acid [2-(1-methyl-2-...)
Show SMILES CC(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H23N3O2/c1-17(15-18-9-3-2-4-10-18)26-24(29)20-12-6-8-14-22(20)28-25(30)23-16-19-11-5-7-13-21(19)27-23/h2-14,16-17,27H,15H2,1H3,(H,26,29)(H,28,30)
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n/an/a 3.15E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin receptor


(RAT)
BDBM50185259
PNG
(2(R,S)-{2-[(1H-indole-2-carbonyl)amino]-benzoylami...)
Show SMILES CC(NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O
Show InChI InChI=1S/C19H17N3O4/c1-11(19(25)26)20-17(23)13-7-3-5-9-15(13)22-18(24)16-10-12-6-2-4-8-14(12)21-16/h2-11,21H,1H3,(H,20,23)(H,22,24)(H,25,26)
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n/an/a 3.24E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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
Cholecystokinin receptor


(RAT)
BDBM50278304
PNG
(2-(S)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylami...)
Show SMILES CC(C)C[C@H](NC(=O)N(C(=O)c1cc2ccccc2[nH]1)c1ccccc1)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O4/c1-14(2)12-19(21(27)28)24-22(29)25(16-9-4-3-5-10-16)20(26)18-13-15-8-6-7-11-17(15)23-18/h3-11,13-14,19,23H,12H2,1-2H3,(H,24,29)(H,27,28)/t19-/m0/s1
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n/an/a 4.64E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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
Cholecystokinin receptor


(RAT)
BDBM50278815
PNG
(CHEMBL498273 | {2-[(1H-Indole-2-carbonyl)-amino]-b...)
Show SMILES OC(=O)CNC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H15N3O4/c22-16(23)10-19-17(24)12-6-2-4-8-14(12)21-18(25)15-9-11-5-1-3-7-13(11)20-15/h1-9,20H,10H2,(H,19,24)(H,21,25)(H,22,23)
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n/an/a 5.52E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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
Cholecystokinin receptor


(RAT)
BDBM50278200
PNG
((1R,S)-1H-Indole-2-carboxylic acid [2-(1-carbamoyl...)
Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H22N4O3/c26-23(30)21(14-16-8-2-1-3-9-16)29-24(31)18-11-5-7-13-20(18)28-25(32)22-15-17-10-4-6-12-19(17)27-22/h1-13,15,21,27H,14H2,(H2,26,30)(H,28,32)(H,29,31)
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n/an/a 8.53E+3n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Sprague-Dawley rat pancreatic acinar cells


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50278373
PNG
(2(R)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C21H21N3O4S/c1-29-11-10-17(21(27)28)24-19(25)14-7-3-5-9-16(14)23-20(26)18-12-13-6-2-4-8-15(13)22-18/h2-9,12,17,22H,10-11H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t17-/m1/s1
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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
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
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50278305
PNG
(2(R)-{2-[(1H-Indole-2-carbonyl)-amino]-benzoylamin...)
Show SMILES CC(C)C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1)C(O)=O |r|
Show InChI InChI=1S/C22H23N3O4/c1-13(2)11-19(22(28)29)25-20(26)15-8-4-6-10-17(15)24-21(27)18-12-14-7-3-5-9-16(14)23-18/h3-10,12-13,19,23H,11H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-/m1/s1
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n/an/a 1.47E+4n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
Cholecystokinin A receptor


(Cavia porcellus)
BDBM50185262
PNG
((+/-)-2-(2-(1H-indole-2-carboxamido)benzamido)-3-p...)
Show SMILES OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H21N3O4/c29-23(28-22(25(31)32)14-16-8-2-1-3-9-16)18-11-5-7-13-20(18)27-24(30)21-15-17-10-4-6-12-19(17)26-21/h1-13,15,22,26H,14H2,(H,27,30)(H,28,29)(H,31,32)
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n/an/a 1.64E+4n/an/an/an/an/an/a



University of Trieste

Curated by ChEMBL


Assay Description
Displacement of [125I]BH-CCK8 from CCK1 receptor in Hartley guinea pig cerebral cortex


Bioorg Med Chem 17: 2336-50 (2009)


Article DOI: 10.1016/j.bmc.2009.02.012
BindingDB Entry DOI: 10.7270/Q27S7NNR
More data for this
Ligand-Target Pair
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