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PubMed code 15713421

Compile data set for download or QSAR
Found 9 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
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50102161
PNG
(1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-2-ox...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C29H27Cl2FN6O3S/c1-41-28-33-14-20(15-34-28)12-21-16-38(29(35-27(21)40)42-18-19-2-4-22(32)5-3-19)17-26(39)37-10-8-36(9-11-37)23-6-7-24(30)25(31)13-23/h2-7,13-16H,8-12,17-18H2,1H3
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PubMed
n/an/a 8n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human Lp-PLA2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50102161
PNG
(1-{2-[4-(3,4-Dichloro-phenyl)-piperazin-1-yl]-2-ox...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N3CCN(CC3)c3ccc(Cl)c(Cl)c3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C29H27Cl2FN6O3S/c1-41-28-33-14-20(15-34-28)12-21-16-38(29(35-27(21)40)42-18-19-2-4-22(32)5-3-19)17-26(39)37-10-8-36(9-11-37)23-6-7-24(30)25(31)13-23/h2-7,13-16H,8-12,17-18H2,1H3
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n/an/a 8.80n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161743
PNG
(3,4-difluorobenzaldehyde O-benzoyloxime | CHEMBL17...)
Show SMILES Fc1ccc(\C=N\OC(=O)c2ccccc2)cc1F
Show InChI InChI=1S/C14H9F2NO2/c15-12-7-6-10(8-13(12)16)9-17-19-14(18)11-4-2-1-3-5-11/h1-9H/b17-9+
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n/an/a 2.00E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161742
PNG
(CHEMBL178391 | benzaldehyde O-benzoyloxime)
Show SMILES O=C(O\N=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H11NO2/c16-14(13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H/b15-11+
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161738
PNG
(4-fluorobenzaldehyde O-benzoyloxime | CHEMBL180720)
Show SMILES Fc1ccc(\C=N\OC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C14H10FNO2/c15-13-8-6-11(7-9-13)10-16-18-14(17)12-4-2-1-3-5-12/h1-10H/b16-10+
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n/an/a 4.40E+3n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161741
PNG
((E)-(thiophen-2-ylmethylidene)amino benzoate | CHE...)
Show SMILES O=C(O\N=C\c1cccs1)c1ccccc1
Show InChI InChI=1S/C12H9NO2S/c14-12(10-5-2-1-3-6-10)15-13-9-11-7-4-8-16-11/h1-9H/b13-9+
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n/an/a 1.12E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161739
PNG
((1E,2E)-3-phenylacrylaldehyde O-benzoyloxime | CHE...)
Show SMILES O=C(O\N=C\C=C\c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H13NO2/c18-16(15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-13H/b10-7+,17-13+
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n/an/a 2.50E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161740
PNG
((E)-(furan-2-ylmethylidene)amino benzoate | CHEMBL...)
Show SMILES O=C(O\N=C\c1ccco1)c1ccccc1
Show InChI InChI=1S/C12H9NO3/c14-12(10-5-2-1-3-6-10)16-13-9-11-7-4-8-15-11/h1-9H/b13-9+
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n/an/a 2.60E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))		BDBM50161744
PNG
(3,4-difluorobenzaldehyde O-(3,4-difluorobenzoyl)ox...)
Show SMILES Fc1ccc(\C=N\OC(=O)c2ccc(F)c(F)c2)cc1F
Show InChI InChI=1S/C14H7F4NO2/c15-10-3-1-8(5-12(10)17)7-19-21-14(20)9-2-4-11(16)13(18)6-9/h1-7H/b19-7+
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n/an/a 3.80E+4n/an/an/an/an/an/a



National Research Laboratory of Lipid Metabolism and Atherosclerosis

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human lipoprotein-associated phospholiphase A2

Bioorg Med Chem Lett 15: 1525-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.063
BindingDB Entry DOI: 10.7270/Q28915CK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%