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PubMed code 16545564

Compile data set for download or QSAR
Found 20 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))
BDBM50184560
PNG
(4-(4-(3-allyl-5-benzhydryl-2,4,6-trioxo-1,3,5-tria...)
Show SMILES OC(=O)c1ccc(OC\C=C\Cn2c(=O)n(CC=C)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C30H27N3O6/c1-2-19-31-28(36)32(20-9-10-21-39-25-17-15-24(16-18-25)27(34)35)30(38)33(29(31)37)26(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h2-18,26H,1,19-21H2,(H,34,35)/b10-9+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184551
PNG
(4-(4-(3-benzhydryl-5-benzyl-2,4,6-trioxo-1,3,5-tri...)
Show SMILES OC(=O)c1ccc(OC\C=C\Cn2c(=O)n(Cc3ccccc3)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C34H29N3O6/c38-31(39)28-18-20-29(21-19-28)43-23-11-10-22-35-32(40)36(24-25-12-4-1-5-13-25)34(42)37(33(35)41)30(26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-21,30H,22-24H2,(H,38,39)/b11-10+
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184549
PNG
(4-(4-(3-benzhydryl-5-ethyl-2,4,6-trioxo-1,3,5-tria...)
Show SMILES CCn1c(=O)n(C\C=C\COc2ccc(cc2)C(O)=O)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O
Show InChI InChI=1S/C29H27N3O6/c1-2-30-27(35)31(19-9-10-20-38-24-17-15-23(16-18-24)26(33)34)29(37)32(28(30)36)25(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-18,25H,2,19-20H2,1H3,(H,33,34)/b10-9+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184550
PNG
(4-(4-(3-benzhydryl-5-butyl-2,4,6-trioxo-1,3,5-tria...)
Show SMILES CCCCn1c(=O)n(C\C=C\COc2ccc(cc2)C(O)=O)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O
Show InChI InChI=1S/C31H31N3O6/c1-2-3-20-32-29(37)33(21-10-11-22-40-26-18-16-25(17-19-26)28(35)36)31(39)34(30(32)38)27(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-19,27H,2-3,20-22H2,1H3,(H,35,36)/b11-10+
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n/an/a 2.40E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50180057
PNG
(4-(2-(1-benzhydryl-2-methyl-1H-indol-3-yl)ethoxy)b...)
Show SMILES Cc1c(CCOc2ccc(cc2)C(O)=O)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C31H26ClNO3/c1-21-27(18-19-36-26-15-12-24(13-16-26)31(34)35)28-20-25(32)14-17-29(28)33(21)30(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-17,20,30H,18-19H2,1H3,(H,34,35)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184561
PNG
(4-(2-(3-benzhydryl-5-benzyl-2,4,6-trioxo-1,3,5-tri...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)n(Cc3ccccc3)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C32H27N3O6/c36-29(37)26-16-18-27(19-17-26)41-21-20-33-30(38)34(22-23-10-4-1-5-11-23)32(40)35(31(33)39)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,28H,20-22H2,(H,36,37)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184563
PNG
(4-(2-(3-allyl-5-benzhydryl-2,4,6-trioxo-1,3,5-tria...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)n(CC=C)c(=O)n(C(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C28H25N3O6/c1-2-17-29-26(34)30(18-19-37-23-15-13-22(14-16-23)25(32)33)28(36)31(27(29)35)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-16,24H,1,17-19H2,(H,32,33)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184555
PNG
(4-(2-(3-benzhydryl-5-butyl-2,4,6-trioxo-1,3,5-tria...)
Show SMILES CCCCn1c(=O)n(CCOc2ccc(cc2)C(O)=O)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O
Show InChI InChI=1S/C29H29N3O6/c1-2-3-18-30-27(35)31(19-20-38-24-16-14-23(15-17-24)26(33)34)29(37)32(28(30)36)25(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,2-3,18-20H2,1H3,(H,33,34)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184552
PNG
(4-(2-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C25H22N2O6/c28-23(29)20-11-13-21(14-12-20)32-16-15-26-24(30)27(33-25(26)31)17-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,28,29)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184564
PNG
(4-(2-(3-benzhydryl-5-ethyl-2,4,6-trioxo-1,3,5-tria...)
Show SMILES CCn1c(=O)n(CCOc2ccc(cc2)C(O)=O)c(=O)n(C(c2ccccc2)c2ccccc2)c1=O
Show InChI InChI=1S/C27H25N3O6/c1-2-28-25(33)29(17-18-36-22-15-13-21(14-16-22)24(31)32)27(35)30(26(28)34)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,2,17-18H2,1H3,(H,31,32)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184567
PNG
(4-(3-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1ccc(OCCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C26H24N2O6/c29-24(30)21-12-14-22(15-13-21)33-17-7-16-27-25(31)28(34-26(27)32)18-23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-15,23H,7,16-18H2,(H,29,30)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184557
PNG
(4-(4-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1ccc(OCC#CCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C27H22N2O6/c30-25(31)22-13-15-23(16-14-22)34-18-8-7-17-28-26(32)29(35-27(28)33)19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-16,24H,17-19H2,(H,30,31)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184556
PNG
(4-(2-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1O
Show InChI InChI=1S/C25H22N2O7/c28-22-15-19(11-12-20(22)23(29)30)33-14-13-26-24(31)27(34-25(26)32)16-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15,21,28H,13-14,16H2,(H,29,30)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184554
PNG
(4-(2-(3-benzyl-5-(2,2-diphenylethyl)-2,4,6-trioxo-...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)n(CC(c3ccccc3)c3ccccc3)c(=O)n(Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C33H29N3O6/c37-30(38)27-16-18-28(19-17-27)42-21-20-34-31(39)35(22-24-10-4-1-5-11-24)33(41)36(32(34)40)23-29(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-19,29H,20-23H2,(H,37,38)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184565
PNG
(3-(2-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1cccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)c1
Show InChI InChI=1S/C25H22N2O6/c28-23(29)20-12-7-13-21(16-20)32-15-14-26-24(30)27(33-25(26)31)17-22(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,16,22H,14-15,17H2,(H,28,29)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184562
PNG
(4-(2-(3-benzhydryl-2,4,6-trioxo-5-phenyl-1,3,5-tri...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)n(C(c3ccccc3)c3ccccc3)c(=O)n(-c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C31H25N3O6/c35-28(36)24-16-18-26(19-17-24)40-21-20-32-29(37)33(25-14-8-3-9-15-25)31(39)34(30(32)38)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27H,20-21H2,(H,35,36)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184558
PNG
(4-(2-(2-benzhydryl-3,5-dioxo-1,2,4-oxadiazolidin-4...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)on(C(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C24H20N2O6/c27-22(28)19-11-13-20(14-12-19)31-16-15-25-23(29)26(32-24(25)30)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,27,28)
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184566
PNG
(4-(2-(2-(1,3-diphenylpropan-2-yl)-3,5-dioxo-1,2,4-...)
Show SMILES OC(=O)c1ccc(OCCn2c(=O)on(C(Cc3ccccc3)Cc3ccccc3)c2=O)cc1
Show InChI InChI=1S/C26H24N2O6/c29-24(30)21-11-13-23(14-12-21)33-16-15-27-25(31)28(34-26(27)32)22(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-14,22H,15-18H2,(H,29,30)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184553
PNG
(4-(4-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1ccc(OC\C=C\Cn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C27H24N2O6/c30-25(31)22-13-15-23(16-14-22)34-18-8-7-17-28-26(32)29(35-27(28)33)19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-16,24H,17-19H2,(H,30,31)/b8-7+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50184559
PNG
(4-(4-(2-(2,2-diphenylethyl)-3,5-dioxo-1,2,4-oxadia...)
Show SMILES OC(=O)c1ccc(OCCCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1
Show InChI InChI=1S/C27H26N2O6/c30-25(31)22-13-15-23(16-14-22)34-18-8-7-17-28-26(32)29(35-27(28)33)19-24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-16,24H,7-8,17-19H2,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cPLA2-alpha by GLU micelle assay


Bioorg Med Chem Lett 16: 2978-81 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.067
BindingDB Entry DOI: 10.7270/Q2FT8KM2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%