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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'fell' and Initial = 'sc'   
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
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093917
PNG
(CHEMBL87729 | N-Decyl-4-[2-(4-fluoro-benzylsulfany...)
Show SMILES CCCCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C30H40FN5O2S/c1-2-3-4-5-6-7-8-9-16-34-28(37)11-10-17-36-21-26(18-25-19-32-23-33-20-25)29(38)35-30(36)39-22-24-12-14-27(31)15-13-24/h12-15,19-21,23H,2-11,16-18,22H2,1H3,(H,34,37)
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n/an/a 0.100n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107512
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimi...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H29F4N5O3S/c1-42(18-22-3-7-25(8-4-22)26-9-11-28(12-10-26)34(36,37)38)30(44)20-43-19-27(15-24-16-39-32(46-2)40-17-24)31(45)41-33(43)47-21-23-5-13-29(35)14-6-23/h3-14,16-17,19H,15,18,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107505
PNG
(CHEMBL79555 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2-...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C33H29ClFN5O3S/c1-39(18-22-3-7-25(8-4-22)26-9-11-28(34)12-10-26)30(41)20-40-19-27(15-24-16-36-32(43-2)37-17-24)31(42)38-33(40)44-21-23-5-13-29(35)14-6-23/h3-14,16-17,19H,15,18,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107480
PNG
(CHEMBL348243 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(nc2)N2CCNCC2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H35ClFN7O2S/c1-43(21-25-2-6-28(7-3-25)29-8-10-31(37)11-9-29)33(46)23-45-22-30(18-27-19-40-35(41-20-27)44-16-14-39-15-17-44)34(47)42-36(45)48-24-26-4-12-32(38)13-5-26/h2-13,19-20,22,39H,14-18,21,23-24H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093916
PNG
(CHEMBL85885 | N-Dodecyl-2-[2-(4-fluoro-benzylsulfa...)
Show SMILES CCCCCCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C30H40FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-16-34-28(37)21-36-20-26(17-25-18-32-23-33-19-25)29(38)35-30(36)39-22-24-12-14-27(31)15-13-24/h12-15,18-20,23H,2-11,16-17,21-22H2,1H3,(H,34,37)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50403796
PNG
(CHEMBL2111560)
Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C38H54FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-42-36(45)19-18-25-44-29-34(26-33-27-40-31-41-28-33)37(46)43-38(44)47-30-32-20-22-35(39)23-21-32/h9-10,20-23,27-29,31H,2-8,11-19,24-26,30H2,1H3,(H,42,45)/b10-9-
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n/an/a 0.400n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093951
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C28H36FN5O2S/c1-2-3-4-5-6-7-14-32-26(35)9-8-15-34-19-24(16-23-17-30-21-31-18-23)27(36)33-28(34)37-20-22-10-12-25(29)13-11-22/h10-13,17-19,21H,2-9,14-16,20H2,1H3,(H,32,35)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107481
PNG
(CHEMBL153546 | N-(4'-Bromo-biphenyl-4-ylmethyl)-2-...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Br)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29BrFN5O2S/c1-37(17-22-3-7-25(8-4-22)26-9-11-28(33)12-10-26)30(40)20-39-19-27(15-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-5-13-29(34)14-6-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107507
PNG
(CHEMBL358483 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES COc1ncc(Cc2cn(CC(=O)NCc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C32H27ClFN5O3S/c1-42-31-36-16-23(17-37-31)14-26-18-39(32(38-30(26)41)43-20-22-4-12-28(34)13-5-22)19-29(40)35-15-21-2-6-24(7-3-21)25-8-10-27(33)11-9-25/h2-13,16-18H,14-15,19-20H2,1H3,(H,35,40)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107501
PNG
(CHEMBL155227 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CCn1cc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cnc1=O
Show InChI InChI=1S/C34H31ClFN5O3S/c1-3-40-19-25(17-37-33(40)44)16-28-20-41(34(38-32(28)43)45-22-24-6-14-30(36)15-7-24)21-31(42)39(2)18-23-4-8-26(9-5-23)27-10-12-29(35)13-11-27/h4-15,17,19-20H,3,16,18,21-22H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107493
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimi...)
Show SMILES COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(F)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C33H29F2N5O3S/c1-39(18-22-3-7-25(8-4-22)26-9-13-29(35)14-10-26)30(41)20-40-19-27(15-24-16-36-32(43-2)37-17-24)31(42)38-33(40)44-21-23-5-11-28(34)12-6-23/h3-14,16-17,19H,15,18,20-21H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107486
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C33H29F4N5O2S/c1-40(17-22-3-7-25(8-4-22)26-9-11-28(12-10-26)33(35,36)37)30(43)20-42-19-27(15-24-16-38-41(2)18-24)31(44)39-32(42)45-21-23-5-13-29(34)14-6-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093913
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCC\C=C\CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C38H54FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-42-36(45)19-18-25-44-29-34(26-33-27-40-31-41-28-33)37(46)43-38(44)47-30-32-20-22-35(39)23-21-32/h9-10,20-23,27-29,31H,2-8,11-19,24-26,30H2,1H3,(H,42,45)/b10-9+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107494
PNG
(CHEMBL151095 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(C)c1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H32ClFN6O2S/c1-40(2)33-37-17-25(18-38-33)16-28-20-42(34(39-32(28)44)45-22-24-6-14-30(36)15-7-24)21-31(43)41(3)19-23-4-8-26(9-5-23)27-10-12-29(35)13-11-27/h4-15,17-18,20H,16,19,21-22H2,1-3H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107487
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(C)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C33H32FN5O2S/c1-23-4-10-27(11-5-23)28-12-6-24(7-13-28)18-37(2)31(40)21-39-20-29(16-26-17-35-38(3)19-26)32(41)36-33(39)42-22-25-8-14-30(34)15-9-25/h4-15,17,19-20H,16,18,21-22H2,1-3H3
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n/an/a 0.900n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50403797
PNG
(CHEMBL2111561)
Show SMILES CCCCCCCC\C=C/CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H50FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-34(43)27-42-26-32(23-31-24-38-29-39-25-31)35(44)41-36(42)45-28-30-18-20-33(37)21-19-30/h9-10,18-21,24-26,29H,2-8,11-17,22-23,27-28H2,1H3,(H,40,43)/b10-9-
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093935
PNG
(CHEMBL87741 | N-Dodecyl-2-[2-(4-fluoro-benzylsulfa...)
Show SMILES CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C31H42FN5O2S/c1-3-4-5-6-7-8-9-10-11-12-17-36(2)29(38)22-37-21-27(18-26-19-33-24-34-20-26)30(39)35-31(37)40-23-25-13-15-28(32)16-14-25/h13-16,19-21,24H,3-12,17-18,22-23H2,1-2H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107490
PNG
(CHEMBL348030 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(=O)[nH]c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H27ClFN5O3S/c1-38(17-21-2-6-24(7-3-21)25-8-10-27(33)11-9-25)29(40)19-39-18-26(14-23-15-35-31(42)36-16-23)30(41)37-32(39)43-20-22-4-12-28(34)13-5-22/h2-13,15-16,18H,14,17,19-20H2,1H3,(H,35,36,42)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107496
PNG
(CHEMBL328023 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29ClFN5O2S/c1-37(17-22-3-7-25(8-4-22)26-9-11-28(33)12-10-26)30(40)20-39-19-27(15-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-5-13-29(34)14-6-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107478
PNG
(CHEMBL358052 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(nc2)N2CCOCC2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H34ClFN6O3S/c1-42(21-25-2-6-28(7-3-25)29-8-10-31(37)11-9-29)33(45)23-44-22-30(18-27-19-39-35(40-20-27)43-14-16-47-17-15-43)34(46)41-36(44)48-24-26-4-12-32(38)13-5-26/h2-13,19-20,22H,14-18,21,23-24H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107498
PNG
(CHEMBL151061 | N-(3'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1cccc(Cl)c1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29ClFN5O2S/c1-37(17-22-6-10-25(11-7-22)26-4-3-5-28(33)15-26)30(40)20-39-19-27(14-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-8-12-29(34)13-9-23/h3-13,15-16,18-19H,14,17,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107488
PNG
(CHEMBL152387 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES Cn1cc(Cc2cn(CC(=O)NCc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C31H27ClFN5O2S/c1-37-17-23(16-35-37)14-26-18-38(31(36-30(26)40)41-20-22-4-12-28(33)13-5-22)19-29(39)34-15-21-2-6-24(7-3-21)25-8-10-27(32)11-9-25/h2-13,16-18H,14-15,19-20H2,1H3,(H,34,39)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107513
PNG
(CHEMBL153579 | N-(2'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1Cl)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29ClFN5O2S/c1-37(17-22-7-11-25(12-8-22)28-5-3-4-6-29(28)33)30(40)20-39-19-26(15-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-9-13-27(34)14-10-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107491
PNG
(CHEMBL149644 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(nc2)N2CCN(C)CC2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C37H37ClFN7O2S/c1-43-15-17-45(18-16-43)36-40-20-28(21-41-36)19-31-23-46(37(42-35(31)48)49-25-27-5-13-33(39)14-6-27)24-34(47)44(2)22-26-3-7-29(8-4-26)30-9-11-32(38)12-10-30/h3-14,20-21,23H,15-19,22,24-25H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093946
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C27H34FN5O2S/c1-2-3-4-5-6-13-31-25(34)8-7-14-33-18-23(15-22-16-29-20-30-17-22)26(35)32-27(33)36-19-21-9-11-24(28)12-10-21/h9-12,16-18,20H,2-8,13-15,19H2,1H3,(H,31,34)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093928
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES Fc1ccc(CCCCCCNC(=O)Cn2cc(Cc3cncnc3)c(=O)nc2SCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H31F2N5O2S/c31-26-10-6-22(7-11-26)5-3-1-2-4-14-35-28(38)19-37-18-25(15-24-16-33-21-34-17-24)29(39)36-30(37)40-20-23-8-12-27(32)13-9-23/h6-13,16-18,21H,1-5,14-15,19-20H2,(H,35,38)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093926
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCC\C=C\CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C36H50FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-40-34(43)27-42-26-32(23-31-24-38-29-39-25-31)35(44)41-36(42)45-28-30-18-20-33(37)21-19-30/h9-10,18-21,24-26,29H,2-8,11-17,22-23,27-28H2,1H3,(H,40,43)/b10-9+
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107483
PNG
(CHEMBL346439 | N-(4'-Cyano-biphenyl-4-ylmethyl)-2-...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(cc1)C#N)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C33H29FN6O2S/c1-38(18-24-5-11-28(12-6-24)27-9-3-23(16-35)4-10-27)31(41)21-40-20-29(15-26-17-36-39(2)19-26)32(42)37-33(40)43-22-25-7-13-30(34)14-8-25/h3-14,17,19-20H,15,18,21-22H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107508
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H29F2N5O2S/c1-37(17-22-3-7-25(8-4-22)26-9-13-29(34)14-10-26)30(40)20-39-19-27(15-24-16-35-38(2)18-24)31(41)36-32(39)42-21-23-5-11-28(33)12-6-23/h3-14,16,18-19H,15,17,20-21H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093912
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCN(C)C(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C28H36FN5O2S/c1-3-4-5-6-7-14-33(2)26(35)9-8-15-34-19-24(16-23-17-30-21-31-18-23)27(36)32-28(34)37-20-22-10-12-25(29)13-11-22/h10-13,17-19,21H,3-9,14-16,20H2,1-2H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107489
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimi...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccc(F)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H31F2N5O3S/c1-44-33-38-19-25(20-39-33)17-28-21-41(34(40-32(28)43)45-22-24-6-12-29(35)13-7-24)16-2-3-31(42)37-18-23-4-8-26(9-5-23)27-10-14-30(36)15-11-27/h4-15,19-21H,2-3,16-18,22H2,1H3,(H,37,42)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093920
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCCCCCCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C38H56FN5O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-42-36(45)19-18-25-44-29-34(26-33-27-40-31-41-28-33)37(46)43-38(44)47-30-32-20-22-35(39)23-21-32/h20-23,27-29,31H,2-19,24-26,30H2,1H3,(H,42,45)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107511
PNG
(CHEMBL152705 | N-Biphenyl-4-ylmethyl-4-[2-(4-fluor...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccccc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H32FN5O3S/c1-43-33-37-20-26(21-38-33)18-29-22-40(34(39-32(29)42)44-23-25-11-15-30(35)16-12-25)17-5-8-31(41)36-19-24-9-13-28(14-10-24)27-6-3-2-4-7-27/h2-4,6-7,9-16,20-22H,5,8,17-19,23H2,1H3,(H,36,41)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107510
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES Cn1cc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccc(F)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C33H31F2N5O2S/c1-39-20-25(19-37-39)17-28-21-40(33(38-32(28)42)43-22-24-6-12-29(34)13-7-24)16-2-3-31(41)36-18-23-4-8-26(9-5-23)27-10-14-30(35)15-11-27/h4-15,19-21H,2-3,16-18,22H2,1H3,(H,36,41)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107504
PNG
(CHEMBL154817 | N-(4'-Chloro-biphenyl-4-ylmethyl)-4...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C34H31ClFN5O3S/c1-44-33-38-19-25(20-39-33)17-28-21-41(34(40-32(28)43)45-22-24-6-14-30(36)15-7-24)16-2-3-31(42)37-18-23-4-8-26(9-5-23)27-10-12-29(35)13-11-27/h4-15,19-21H,2-3,16-18,22H2,1H3,(H,37,42)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107503
PNG
(CHEMBL153681 | N-Biphenyl-4-ylmethyl-2-[2-(4-fluor...)
Show SMILES Fc1ccc(CSc2nc(=O)c(Cc3cncnc3)cn2CC(=O)NCc2ccc(cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C31H26FN5O2S/c32-28-12-8-23(9-13-28)20-40-31-36-30(39)27(14-24-15-33-21-34-16-24)18-37(31)19-29(38)35-17-22-6-10-26(11-7-22)25-4-2-1-3-5-25/h1-13,15-16,18,21H,14,17,19-20H2,(H,35,38)
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n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107497
PNG
(CHEMBL273524 | N-(4'-Chloro-biphenyl-4-ylmethyl)-4...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)CCCn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C34H33ClFN5O2S/c1-39(20-24-5-9-27(10-6-24)28-11-13-30(35)14-12-28)32(42)4-3-17-41-22-29(18-26-19-37-40(2)21-26)33(43)38-34(41)44-23-25-7-15-31(36)16-8-25/h5-16,19,21-22H,3-4,17-18,20,23H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107500
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C33H32FN5O4S2/c1-37(18-23-4-8-26(9-5-23)27-10-14-30(15-11-27)45(3,42)43)31(40)21-39-20-28(16-25-17-35-38(2)19-25)32(41)36-33(39)44-22-24-6-12-29(34)13-7-24/h4-15,17,19-20H,16,18,21-22H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107502
PNG
(CHEMBL150336 | N-Biphenyl-4-ylmethyl-2-[2-(4-fluor...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN5O2S/c1-36(18-23-8-12-27(13-9-23)26-6-4-3-5-7-26)30(39)21-38-20-28(16-25-17-34-37(2)19-25)31(40)35-32(38)41-22-24-10-14-29(33)15-11-24/h3-15,17,19-20H,16,18,21-22H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107482
PNG
(CHEMBL348431 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnc(nc2)C(F)(F)F)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C33H26ClF4N5O2S/c1-42(17-21-2-6-24(7-3-21)25-8-10-27(34)11-9-25)29(44)19-43-18-26(14-23-15-39-31(40-16-23)33(36,37)38)30(45)41-32(43)46-20-22-4-12-28(35)13-5-22/h2-13,15-16,18H,14,17,19-20H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107484
PNG
(CHEMBL150823 | N-Biphenyl-4-ylmethyl-4-[2-(4-fluor...)
Show SMILES Cn1cc(Cc2cn(CCCC(=O)NCc3ccc(cc3)-c3ccccc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C33H32FN5O2S/c1-38-21-26(20-36-38)18-29-22-39(33(37-32(29)41)42-23-25-11-15-30(34)16-12-25)17-5-8-31(40)35-19-24-9-13-28(14-10-24)27-6-3-2-4-7-27/h2-4,6-7,9-16,20-22H,5,8,17-19,23H2,1H3,(H,35,40)
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107506
PNG
(CHEMBL153246 | N-(4'-Chloro-biphenyl-4-ylmethyl)-4...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)N(C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C35H33ClFN5O3S/c1-41(21-24-5-9-27(10-6-24)28-11-13-30(36)14-12-28)32(43)4-3-17-42-22-29(18-26-19-38-34(45-2)39-20-26)33(44)40-35(42)46-23-25-7-15-31(37)16-8-25/h5-16,19-20,22H,3-4,17-18,21,23H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093941
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C26H32FN5O2S/c1-2-3-4-5-6-7-12-30-24(33)17-32-16-22(13-21-14-28-19-29-15-21)25(34)31-26(32)35-18-20-8-10-23(27)11-9-20/h8-11,14-16,19H,2-7,12-13,17-18H2,1H3,(H,30,33)
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n/an/a 7n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093948
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C26H32FN5O2S/c1-2-3-4-5-12-30-24(33)7-6-13-32-17-22(14-21-15-28-19-29-16-21)25(34)31-26(32)35-18-20-8-10-23(27)11-9-20/h8-11,15-17,19H,2-7,12-14,18H2,1H3,(H,30,33)
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107509
PNG
(CHEMBL153701 | N-Biphenyl-4-ylmethyl-2-[2-(4-fluor...)
Show SMILES CN(Cc1ccc(cc1)-c1ccccc1)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C32H28FN5O2S/c1-37(18-23-7-11-27(12-8-23)26-5-3-2-4-6-26)30(39)20-38-19-28(15-25-16-34-22-35-17-25)31(40)36-32(38)41-21-24-9-13-29(33)14-10-24/h2-14,16-17,19,22H,15,18,20-21H2,1H3
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107499
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...)
Show SMILES CN(Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)CCCn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C34H33F2N5O2S/c1-39(20-24-5-9-27(10-6-24)28-11-15-31(36)16-12-28)32(42)4-3-17-41-22-29(18-26-19-37-40(2)21-26)33(43)38-34(41)44-23-25-7-13-30(35)14-8-25/h5-16,19,21-22H,3-4,17-18,20,23H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093924
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyri...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCSc1nc(=O)c(Cc2cncnc2)cn1Cc1cccs1
Show InChI InChI=1S/C28H29ClN4O2S2/c29-24-11-9-22(10-12-24)26(34)8-4-2-1-3-5-13-37-28-32-27(35)23(15-21-16-30-20-31-17-21)18-33(28)19-25-7-6-14-36-25/h6-7,9-12,14,16-18,20H,1-5,8,13,15,19H2
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093953
PNG
(2-(4-Fluoro-benzylsulfanyl)-1-[2-(4-hexyl-phenyl)-...)
Show SMILES CCCCCCc1ccc(CCn2cc(Cc3cncnc3)c(=O)nc2SCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C30H33FN4OS/c1-2-3-4-5-6-23-7-9-24(10-8-23)15-16-35-20-27(17-26-18-32-22-33-19-26)29(36)34-30(35)37-21-25-11-13-28(31)14-12-25/h7-14,18-20,22H,2-6,15-17,21H2,1H3
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n/an/a 12n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50107492
PNG
(4-[2-(4-Fluoro-benzylsulfanyl)-5-(2-methoxy-pyrimi...)
Show SMILES COc1ncc(Cc2cn(CCCC(=O)N(C)Cc3ccc(cc3)-c3ccc(F)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1
Show InChI InChI=1S/C35H33F2N5O3S/c1-41(21-24-5-9-27(10-6-24)28-11-15-31(37)16-12-28)32(43)4-3-17-42-22-29(18-26-19-38-34(45-2)39-20-26)33(44)40-35(42)46-23-25-7-13-30(36)14-8-25/h5-16,19-20,22H,3-4,17-18,21,23H2,1-2H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2 (Lp-PLA2).


Bioorg Med Chem Lett 12: 51-5 (2001)


BindingDB Entry DOI: 10.7270/Q2862FR5
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens (Human))
BDBM50093950
PNG
(2-[2-(4-Fluoro-benzylsulfanyl)-4-oxo-5-pyrimidin-5...)
Show SMILES CCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C27H34FN5O2S/c1-3-4-5-6-7-8-13-32(2)25(34)18-33-17-23(14-22-15-29-20-30-16-22)26(35)31-27(33)36-19-21-9-11-24(28)12-10-21/h9-12,15-17,20H,3-8,13-14,18-19H2,1-2H3
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SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein associated phospholipase A2 in human plasma


Bioorg Med Chem Lett 10: 2557-61 (2001)


BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
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