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PubMed code 18321717

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50185356
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)31-19-23(28)18-27-16-15-21-17-22(26(29)30)11-14-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
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PubMed
n/an/a 18n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as liberation of arachidonic acid after 60 mins


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50185356
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)31-19-23(28)18-27-16-15-21-17-22(26(29)30)11-14-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
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PubMed
n/an/a 35n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376192
PNG
(CHEMBL260247)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CC(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO7/c1-2-3-4-5-6-7-8-20-9-11-23(12-10-20)35-18-22(30)19-36-24-13-14-25-21(15-24)16-26(28(33)34)29(25)17-27(31)32/h9-16H,2-8,17-19H2,1H3,(H,31,32)(H,33,34)
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n/an/a 300n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376191
PNG
(CHEMBL260248)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCCC(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C30H37NO7/c1-2-3-4-5-6-7-9-22-11-13-25(14-12-22)37-20-24(32)21-38-26-15-16-27-23(18-26)19-28(30(35)36)31(27)17-8-10-29(33)34/h11-16,18-19H,2-10,17,20-21H2,1H3,(H,33,34)(H,35,36)
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n/an/a 300n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as liberation of arachidonic acid after 60 mins


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376191
PNG
(CHEMBL260248)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCCC(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C30H37NO7/c1-2-3-4-5-6-7-9-22-11-13-25(14-12-22)37-20-24(32)21-38-26-15-16-27-23(18-26)19-28(30(35)36)31(27)17-8-10-29(33)34/h11-16,18-19H,2-10,17,20-21H2,1H3,(H,33,34)(H,35,36)
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n/an/a 400n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376190
PNG
(CHEMBL260708)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCCCCC(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C32H41NO7/c1-2-3-4-5-6-8-11-24-13-15-27(16-14-24)39-22-26(34)23-40-28-17-18-29-25(20-28)21-30(32(37)38)33(29)19-10-7-9-12-31(35)36/h13-18,20-21H,2-12,19,22-23H2,1H3,(H,35,36)(H,37,38)
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n/an/a 500n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as liberation of arachidonic acid after 60 mins


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376187
PNG
(CHEMBL260365)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(C)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C27H33NO5/c1-3-4-5-6-7-8-9-20-10-12-23(13-11-20)32-18-22(29)19-33-24-14-15-25-21(16-24)17-26(27(30)31)28(25)2/h10-17H,3-9,18-19H2,1-2H3,(H,30,31)
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n/an/a 600n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as liberation of arachidonic acid after 60 mins


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376190
PNG
(CHEMBL260708)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCCCCC(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C32H41NO7/c1-2-3-4-5-6-8-11-24-13-15-27(16-14-24)39-22-26(34)23-40-28-17-18-29-25(20-28)21-30(32(37)38)33(29)19-10-7-9-12-31(35)36/h13-18,20-21H,2-12,19,22-23H2,1H3,(H,35,36)(H,37,38)
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n/an/a 600n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376187
PNG
(CHEMBL260365)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(C)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C27H33NO5/c1-3-4-5-6-7-8-9-20-10-12-23(13-11-20)32-18-22(29)19-33-24-14-15-25-21(16-24)17-26(27(30)31)28(25)2/h10-17H,3-9,18-19H2,1-2H3,(H,30,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376192
PNG
(CHEMBL260247)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CC(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO7/c1-2-3-4-5-6-7-8-20-9-11-23(12-10-20)35-18-22(30)19-36-24-13-14-25-21(15-24)16-26(28(33)34)29(25)17-27(31)32/h9-16H,2-8,17-19H2,1H3,(H,31,32)(H,33,34)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha in TPA-stimulated intact human platelets assessed as liberation of arachidonic acid after 60 mins


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376189
PNG
(CHEMBL260517)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(Cc4ccc(cc4)C(O)=O)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C34H37NO7/c1-2-3-4-5-6-7-8-24-11-15-29(16-12-24)41-22-28(36)23-42-30-17-18-31-27(19-30)20-32(34(39)40)35(31)21-25-9-13-26(14-10-25)33(37)38/h9-20H,2-8,21-23H2,1H3,(H,37,38)(H,39,40)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376195
PNG
(CHEMBL258651)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCC)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C29H37NO5/c1-3-5-6-7-8-9-10-22-11-13-25(14-12-22)34-20-24(31)21-35-26-15-16-27-23(18-26)19-28(29(32)33)30(27)17-4-2/h11-16,18-19H,3-10,17,20-21H2,1-2H3,(H,32,33)
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50059523
PNG
((6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)C(F)(F)F
Show InChI InChI=1S/C21H31F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(25)21(22,23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3/b7-6-,10-9-,13-12-,16-15-
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376186
PNG
(CHEMBL259823)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3[nH]c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO5/c1-2-3-4-5-6-7-8-19-9-11-22(12-10-19)31-17-21(28)18-32-23-13-14-24-20(15-23)16-25(27-24)26(29)30/h9-16,27H,2-8,17-18H2,1H3,(H,29,30)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376194
PNG
(CHEMBL260716)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCCCCC)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C32H43NO5/c1-3-5-7-9-10-11-13-25-14-16-28(17-15-25)37-23-27(34)24-38-29-18-19-30-26(21-29)22-31(32(35)36)33(30)20-12-8-6-4-2/h14-19,21-22H,3-13,20,23-24H2,1-2H3,(H,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376193
PNG
(CHEMBL409357)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(Cc4ccccc4)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C33H37NO5/c1-2-3-4-5-6-8-11-25-14-16-29(17-15-25)38-23-28(35)24-39-30-18-19-31-27(20-30)21-32(33(36)37)34(31)22-26-12-9-7-10-13-26/h7,9-10,12-21H,2-6,8,11,22-24H2,1H3,(H,36,37)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
Cytosolic phospholipase A2


(Homo sapiens (Human))
BDBM50376188
PNG
(CHEMBL410658)
Show SMILES CCCCCCCCc1ccc(OCC(=O)COc2ccc3n(CCN(C)C)c(cc3c2)C(O)=O)cc1
Show InChI InChI=1S/C30H40N2O5/c1-4-5-6-7-8-9-10-23-11-13-26(14-12-23)36-21-25(33)22-37-27-15-16-28-24(19-27)20-29(30(34)35)32(28)18-17-31(2)3/h11-16,19-20H,4-10,17-18,21-22H2,1-3H3,(H,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of M£nster

Curated by ChEMBL


Assay Description
Inhibition of human platelet cPLA2-alpha activity


Bioorg Med Chem 16: 3489-500 (2008)


Article DOI: 10.1016/j.bmc.2008.02.019
BindingDB Entry DOI: 10.7270/Q2W66MN0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%