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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50047361   
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))
BDBM50125265
PNG
(CHEMBL204021 | N-(2-Diethylamino-ethyl)-2-[2-(4-fl...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1c2CCCc2c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3
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Article
PubMed
n/an/a 0.700n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162089
PNG
(CHEMBL3792873)
Show SMILES COC1CCN(CC1)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C25H23ClF5N3O4/c1-33-22(34-7-5-15(36-2)6-8-34)12-21(32-24(33)35)37-13-14-9-19(27)23(20(28)10-14)38-16-3-4-18(26)17(11-16)25(29,30)31/h3-4,9-12,15H,5-8,13H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162085
PNG
(CHEMBL3792774)
Show SMILES CCOC(=O)CN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C24H21ClF5N3O5/c1-4-36-21(34)11-32(2)20-10-19(31-23(35)33(20)3)37-12-13-7-17(26)22(18(27)8-13)38-14-5-6-16(25)15(9-14)24(28,29)30/h5-10H,4,11-12H2,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162084
PNG
(CHEMBL3792756)
Show SMILES COCCN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C23H21ClF5N3O4/c1-31(6-7-34-3)20-11-19(30-22(33)32(20)2)35-12-13-8-17(25)21(18(26)9-13)36-14-4-5-16(24)15(10-14)23(27,28)29/h4-5,8-11H,6-7,12H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162087
PNG
(CHEMBL3794023)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCOCC1
Show InChI InChI=1S/C23H19ClF5N3O4/c1-31-20(32-4-6-34-7-5-32)11-19(30-22(31)33)35-12-13-8-17(25)21(18(26)9-13)36-14-2-3-16(24)15(10-14)23(27,28)29/h2-3,8-11H,4-7,12H2,1H3
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n/an/a 1.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162136
PNG
(CHEMBL3792924)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C23H19ClF5N3O5S/c1-31-20(32-4-6-38(34,35)7-5-32)11-19(30-22(31)33)36-12-13-8-17(25)21(18(26)9-13)37-14-2-3-16(24)15(10-14)23(27,28)29/h2-3,8-11H,4-7,12H2,1H3
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n/an/a 1.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162135
PNG
(CHEMBL3793007)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCSCC1
Show InChI InChI=1S/C23H19ClF5N3O3S/c1-31-20(32-4-6-36-7-5-32)11-19(30-22(31)33)34-12-13-8-17(25)21(18(26)9-13)35-14-2-3-16(24)15(10-14)23(27,28)29/h2-3,8-11H,4-7,12H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162130
PNG
(CHEMBL3792761)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCN(CC1)C1CC1
Show InChI InChI=1S/C26H24ClF5N4O3/c1-34-23(36-8-6-35(7-9-36)16-2-3-16)13-22(33-25(34)37)38-14-15-10-20(28)24(21(29)11-15)39-17-4-5-19(27)18(12-17)26(30,31)32/h4-5,10-13,16H,2-3,6-9,14H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162269
PNG
(CHEMBL3794575)
Show SMILES Cn1c(cc(OCc2ccc(Oc3ccc(Cl)c(c3)C(F)(F)F)cc2)nc1=O)N1CCOCC1
Show InChI InChI=1S/C23H21ClF3N3O4/c1-29-21(30-8-10-32-11-9-30)13-20(28-22(29)31)33-14-15-2-4-16(5-3-15)34-17-6-7-19(24)18(12-17)23(25,26)27/h2-7,12-13H,8-11,14H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162090
PNG
(CHEMBL3794220)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCC(F)CC1
Show InChI InChI=1S/C24H20ClF6N3O3/c1-33-21(34-6-4-14(26)5-7-34)11-20(32-23(33)35)36-12-13-8-18(27)22(19(28)9-13)37-15-2-3-17(25)16(10-15)24(29,30)31/h2-3,8-11,14H,4-7,12H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162271
PNG
(CHEMBL3793506)
Show SMILES Cn1c(cc(OCc2ccc(Oc3ccc(Cl)c(c3)C(F)(F)F)c(c2)C#N)nc1=O)N1CCOCC1
Show InChI InChI=1S/C24H20ClF3N4O4/c1-31-22(32-6-8-34-9-7-32)12-21(30-23(31)33)35-14-15-2-5-20(16(10-15)13-29)36-17-3-4-19(25)18(11-17)24(26,27)28/h2-5,10-12H,6-9,14H2,1H3
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n/an/a 2.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162077
PNG
(CHEMBL3792835)
Show SMILES Cc1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C20H14ClF5N2O3/c1-10-5-17(27-19(29)28(10)2)30-9-11-6-15(22)18(16(23)7-11)31-12-3-4-14(21)13(8-12)20(24,25)26/h3-8H,9H2,1-2H3
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n/an/a 2.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162270
PNG
(CHEMBL3794054)
Show SMILES Cn1c(cc(OCc2ccc(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCOCC1
Show InChI InChI=1S/C23H20ClF4N3O4/c1-30-21(31-6-8-33-9-7-31)12-20(29-22(30)32)34-13-14-2-5-19(18(25)10-14)35-15-3-4-17(24)16(11-15)23(26,27)28/h2-5,10-12H,6-9,13H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162088
PNG
(CHEMBL3792672)
Show SMILES CN1CCN(CC1)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C24H22ClF5N4O3/c1-32-5-7-34(8-6-32)21-12-20(31-23(35)33(21)2)36-13-14-9-18(26)22(19(27)10-14)37-15-3-4-17(25)16(11-15)24(28,29)30/h3-4,9-12H,5-8,13H2,1-2H3
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n/an/a 3.5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162079
PNG
(CHEMBL3792670)
Show SMILES COc1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C20H14ClF5N2O4/c1-28-17(30-2)8-16(27-19(28)29)31-9-10-5-14(22)18(15(23)6-10)32-11-3-4-13(21)12(7-11)20(24,25)26/h3-8H,9H2,1-2H3
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n/an/a 3.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162080
PNG
(CHEMBL3792717)
Show SMILES CN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C21H17ClF5N3O3/c1-29(2)18-9-17(28-20(31)30(18)3)32-10-11-6-15(23)19(16(24)7-11)33-12-4-5-14(22)13(8-12)21(25,26)27/h4-9H,10H2,1-3H3
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n/an/a 3.90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162082
PNG
(CHEMBL3794025)
Show SMILES CN(C1CC1)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C23H19ClF5N3O3/c1-31(13-3-4-13)20-10-19(30-22(33)32(20)2)34-11-12-7-17(25)21(18(26)8-12)35-14-5-6-16(24)15(9-14)23(27,28)29/h5-10,13H,3-4,11H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162081
PNG
(CHEMBL3793562)
Show SMILES CCN(CC)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc(=O)n1C
Show InChI InChI=1S/C23H21ClF5N3O3/c1-4-32(5-2)20-11-19(30-22(33)31(20)3)34-12-13-8-17(25)21(18(26)9-13)35-14-6-7-16(24)15(10-14)23(27,28)29/h6-11H,4-5,12H2,1-3H3
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n/an/a 4.20n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162091
PNG
(CHEMBL3792972)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C24H19ClF7N3O3/c1-34-20(35-6-4-23(28,29)5-7-35)11-19(33-22(34)36)37-12-13-8-17(26)21(18(27)9-13)38-14-2-3-16(25)15(10-14)24(30,31)32/h2-3,8-11H,4-7,12H2,1H3
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n/an/a 4.60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162078
PNG
(CHEMBL3793795)
Show SMILES CCn1c(C)cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O
Show InChI InChI=1S/C21H16ClF5N2O3/c1-3-29-11(2)6-18(28-20(29)30)31-10-12-7-16(23)19(17(24)8-12)32-13-4-5-15(22)14(9-13)21(25,26)27/h4-9H,3,10H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair
Platelet-activating factor acetylhydrolase


(Homo sapiens (Human))
BDBM50162086
PNG
(CHEMBL3794546)
Show SMILES Cn1c(cc(OCc2cc(F)c(Oc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)nc1=O)N1CCCCC1
Show InChI InChI=1S/C24H21ClF5N3O3/c1-32-21(33-7-3-2-4-8-33)12-20(31-23(32)34)35-13-14-9-18(26)22(19(27)10-14)36-15-5-6-17(25)16(11-15)24(28,29)30/h5-6,9-12H,2-4,7-8,13H2,1H3
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n/an/a 8.30n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Lp-PLA2 using 2-thio-PAF as substrate measured for 10 mins by plate reader analysis


J Med Chem 59: 2674-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01930
BindingDB Entry DOI: 10.7270/Q2R49SN8
More data for this
Ligand-Target Pair