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PubMed code 16610804

Compile data set for download or QSAR
Found 39 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
cPLA2 C2


(Homo sapiens (Human))
BDBM50185354
PNG
(3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)
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PubMed
n/an/a 0.900n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185348
PNG
(3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)
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n/an/a 1.10n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185354
PNG
(3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)
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n/an/a 4.30n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185348
PNG
(3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)
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n/an/a 4.90n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185351
PNG
(3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)
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n/an/a 6.40n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185350
PNG
(1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)
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n/an/a 7.80n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185349
PNG
(3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)
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n/an/a 9.70n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185345
PNG
(3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)
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n/an/a 11n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185345
PNG
(3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185351
PNG
(3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)
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n/an/a 16n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185349
PNG
(3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)
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n/an/a 16n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(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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n/an/a 18n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185350
PNG
(1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)
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n/an/a 20n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(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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n/an/a 35n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185347
PNG
(3-chloro-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(Cl)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H30ClNO4/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)32-18-21(29)16-28-17-24(27)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)
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n/an/a 110n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185355
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(N)=O)cc1
Show InChI InChI=1S/C26H32N2O3/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)31-19-23(29)18-28-16-15-21-17-22(26(27)30)11-14-25(21)28/h9-17H,2-8,18-19H2,1H3,(H2,27,30)
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n/an/a 120n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185347
PNG
(3-chloro-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(Cl)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H30ClNO4/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)32-18-21(29)16-28-17-24(27)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)
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n/an/a 120n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185350
PNG
(1-(3-(4-(decyloxy)phenoxy)-2-oxopropyl)-1H-indole-...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H35NO5/c1-2-3-4-5-6-7-8-9-18-33-25-11-13-26(14-12-25)34-21-24(30)20-29-17-16-22-19-23(28(31)32)10-15-27(22)29/h10-17,19H,2-9,18,20-21H2,1H3,(H,31,32)
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n/an/a 210n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185353
PNG
(3-tert-butyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(c3cc(ccc23)C(O)=O)C(C)(C)C)cc1
Show InChI InChI=1S/C30H39NO4/c1-5-6-7-8-9-10-11-22-12-15-25(16-13-22)35-21-24(32)19-31-20-27(30(2,3)4)26-18-23(29(33)34)14-17-28(26)31/h12-18,20H,5-11,19,21H2,1-4H3,(H,33,34)
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n/an/a 230n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50110846
PNG
(4-(3-(4-(decyloxy)phenoxy)-2-oxopropoxy)benzoic ac...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)COc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C26H34O6/c1-2-3-4-5-6-7-8-9-18-30-23-14-16-25(17-15-23)32-20-22(27)19-31-24-12-10-21(11-13-24)26(28)29/h10-17H,2-9,18-20H2,1H3,(H,28,29)
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n/an/a 250n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185353
PNG
(3-tert-butyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(c3cc(ccc23)C(O)=O)C(C)(C)C)cc1
Show InChI InChI=1S/C30H39NO4/c1-5-6-7-8-9-10-11-22-12-15-25(16-13-22)35-21-24(32)19-31-20-27(30(2,3)4)26-18-23(29(33)34)14-17-28(26)31/h12-18,20H,5-11,19,21H2,1-4H3,(H,33,34)
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n/an/a 340n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185345
PNG
(3-cyano-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indo...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C#N)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H30N2O4/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)18-29-17-22(16-28)25-15-21(27(31)32)11-14-26(25)29/h9-15,17H,2-8,18-19H2,1H3,(H,31,32)
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n/an/a 370n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185349
PNG
(3-formyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO5/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)33-19-23(30)17-28-16-22(18-29)25-15-21(27(31)32)11-14-26(25)28/h9-16,18H,2-8,17,19H2,1H3,(H,31,32)
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n/an/a 380n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(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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n/an/a 410n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185352
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)
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n/an/a 560n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha activity assessed by TPA-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185354
PNG
(3-methylhydrogen 1-[3-(4-decyloxyphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCCCOc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C30H37NO7/c1-3-4-5-6-7-8-9-10-17-37-24-12-14-25(15-13-24)38-21-23(32)19-31-20-27(30(35)36-2)26-18-22(29(33)34)11-16-28(26)31/h11-16,18,20H,3-10,17,19,21H2,1-2H3,(H,33,34)
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n/an/a 570n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185355
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(ccc23)C(N)=O)cc1
Show InChI InChI=1S/C26H32N2O3/c1-2-3-4-5-6-7-8-20-9-12-24(13-10-20)31-19-23(29)18-28-16-15-21-17-22(26(27)30)11-14-25(21)28/h9-17H,2-8,18-19H2,1H3,(H2,27,30)
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n/an/a 770n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185352
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)
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n/an/a 890n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185351
PNG
(3-acetyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(C)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-21-10-13-24(14-11-21)34-19-23(31)17-29-18-26(20(2)30)25-16-22(28(32)33)12-15-27(25)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,32,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185346
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185348
PNG
(3-(methoxycarbonyl)-1-(3-(4-octylphenoxy)-2-oxopro...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(=O)OC)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C28H33NO6/c1-3-4-5-6-7-8-9-20-10-13-23(14-11-20)35-19-22(30)17-29-18-25(28(33)34-2)24-16-21(27(31)32)12-15-26(24)29/h10-16,18H,3-9,17,19H2,1-2H3,(H,31,32)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185347
PNG
(3-chloro-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-ind...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(Cl)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H30ClNO4/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)32-18-21(29)16-28-17-24(27)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185353
PNG
(3-tert-butyl-1-(3-(4-octylphenoxy)-2-oxopropyl)-1H...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(c3cc(ccc23)C(O)=O)C(C)(C)C)cc1
Show InChI InChI=1S/C30H39NO4/c1-5-6-7-8-9-10-11-22-12-15-25(16-13-22)35-21-24(32)19-31-20-27(30(2,3)4)26-18-23(29(33)34)14-17-28(26)31/h12-18,20H,5-11,19,21H2,1-4H3,(H,33,34)
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185357
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1
Show InChI InChI=1S/C26H31NO3/c1-2-3-4-5-6-7-8-21-9-12-25(13-10-21)30-20-24(29)18-27-16-15-23-17-22(19-28)11-14-26(23)27/h9-17,19H,2-8,18,20H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of human isolated cPLA2alpha by vescicle assay


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185346
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-6-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-8-20-9-13-24(14-10-20)31-19-23(28)18-27-16-15-21-11-12-22(26(29)30)17-25(21)27/h9-17H,2-8,18-19H2,1H3,(H,29,30)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185357
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-5-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2ccc3cc(C=O)ccc23)cc1
Show InChI InChI=1S/C26H31NO3/c1-2-3-4-5-6-7-8-21-9-12-25(13-10-21)30-20-24(29)18-27-16-15-23-17-22(19-28)11-14-26(23)27/h9-17,19H,2-8,18,20H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185352
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-3,5-d...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2cc(C(O)=O)c3cc(ccc23)C(O)=O)cc1
Show InChI InChI=1S/C27H31NO6/c1-2-3-4-5-6-7-8-19-9-12-22(13-10-19)34-18-21(29)16-28-17-24(27(32)33)23-15-20(26(30)31)11-14-25(23)28/h9-15,17H,2-8,16,18H2,1H3,(H,30,31)(H,32,33)
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50185358
PNG
(1-(3-(4-octylphenoxy)-2-oxopropyl)-1H-indole-2-car...)
Show SMILES CCCCCCCCc1ccc(OCC(=O)Cn2c(cc3ccccc23)C(O)=O)cc1
Show InChI InChI=1S/C26H31NO4/c1-2-3-4-5-6-7-10-20-13-15-23(16-14-20)31-19-22(28)18-27-24-12-9-8-11-21(24)17-25(27)26(29)30/h8-9,11-17H,2-7,10,18-19H2,1H3,(H,29,30)
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Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



University of Münster

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha activity assessed by A23187-induced arachidonic acid release in human platelet


J Med Chem 49: 2611-20 (2006)


Article DOI: 10.1021/jm051243a
BindingDB Entry DOI: 10.7270/Q2668CSF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%