BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 491 hits Enz. Inhib. hit(s) with Target = 'LDL-associated phospholipase A2'   
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)
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 1.90n/an/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Binding affinity to human Lp-PLA2 by ITC assay


J Med Chem 59: 5115-20 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00282
BindingDB Entry DOI: 10.7270/Q23F4RMQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 5n/an/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay Description
Binding affinity to human Lp-PLA2 by ITC assay


J Med Chem 59: 5115-20 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00282
BindingDB Entry DOI: 10.7270/Q23F4RMQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50182424
PNG
(CHEMBL3818090)
Show SMILES Fc1cccc(c1)C(=O)N1CC=CC1
Show InChI InChI=1S/C11H10FNO/c12-10-5-3-4-9(8-10)11(14)13-6-1-2-7-13/h1-5,8H,6-7H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/an/a 9.80E+5n/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assay


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
BDBM12414
PNG
(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Show SMILES NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 3.40E+6n/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assay


J Med Chem 59: 5356-67 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00212
BindingDB Entry DOI: 10.7270/Q2Z60R0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50117772
PNG
(CHEMBL10921 | N-(2-Diethylamino-ethyl)-2-[2-(4-flu...)
Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1
Show InChI InChI=1S/C38H40F4N6O2S/c1-4-46(5-2)18-19-47(23-27-6-10-30(11-7-27)31-12-14-33(15-13-31)38(40,41)42)35(49)25-48-24-32(20-29-21-43-45(3)22-29)36(50)44-37(48)51-26-28-8-16-34(39)17-9-28/h6-17,21-22,24H,4-5,18-20,23,25-26H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Steady state and transient kinetics to a freely reversible, non-covalently bound, human recombinant Phospholipase A2 (rhLp-PLA2) was determined


Bioorg Med Chem Lett 12: 2603-6 (2002)


Article DOI: 10.1016/s0960-894x(02)00473-0
BindingDB Entry DOI: 10.7270/Q2G44PNN
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085629
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-(1-m...)
Show SMILES Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O
Show InChI InChI=1S/C25H28ClN3O3S/c1-29-13-12-18(16-23(29)31)15-20-17-27-25(28-24(20)32)33-14-6-4-2-3-5-7-22(30)19-8-10-21(26)11-9-19/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for inhibition of Lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
110n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human Lp-PLA2


Bioorg Med Chem Lett 13: 1067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00058-1
BindingDB Entry DOI: 10.7270/Q2S75FPD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085629
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-(1-m...)
Show SMILES Cn1ccc(Cc2cnc(SCCCCCCCC(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1=O
Show InChI InChI=1S/C25H28ClN3O3S/c1-29-13-12-18(16-23(29)31)15-20-17-27-25(28-24(20)32)33-14-6-4-2-3-5-7-22(30)19-8-10-21(26)11-9-19/h8-13,16-17H,2-7,14-15H2,1H3,(H,27,28,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085616
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyri...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1
Show InChI InChI=1S/C24H26ClN3O2S/c25-21-11-9-19(10-12-21)22(29)8-4-2-1-3-5-14-31-24-27-17-20(23(30)28-24)15-18-7-6-13-26-16-18/h6-7,9-13,16-17H,1-5,8,14-15H2,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085617
PNG
(2-Benzylsulfanyl-5-(6-methyl-pyridin-3-ylmethyl)-1...)
Show SMILES Cc1ccc(Cc2cnc(SCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C18H17N3OS/c1-13-7-8-15(10-19-13)9-16-11-20-18(21-17(16)22)23-12-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085618
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(4-phenyl-butyls...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C21H23N3OS/c1-16-10-11-18(14-22-16)13-19-15-23-21(24-20(19)25)26-12-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,14-15H,5-6,9,12-13H2,1H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 5.50E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085619
PNG
(2-(6-Phenyl-hexylsulfanyl)-5-pyridin-3-ylmethyl-1H...)
Show SMILES O=c1[nH]c(SCCCCCCc2ccccc2)ncc1Cc1cccnc1
Show InChI InChI=1S/C22H25N3OS/c26-21-20(15-19-12-8-13-23-16-19)17-24-22(25-21)27-14-7-2-1-4-9-18-10-5-3-6-11-18/h3,5-6,8,10-13,16-17H,1-2,4,7,9,14-15H2,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085620
PNG
(2-[7-(4-Chloro-phenoxy)-heptylsulfanyl]-5-pyridin-...)
Show SMILES Clc1ccc(OCCCCCCCSc2ncc(Cc3cccnc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H26ClN3O2S/c24-20-8-10-21(11-9-20)29-13-4-2-1-3-5-14-30-23-26-17-19(22(28)27-23)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 230n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085621
PNG
(2-[6-(4-Chloro-benzyloxy)-hexylsulfanyl]-5-(6-meth...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCCCOCc3ccc(Cl)cc3)[nH]c2=O)cn1
Show InChI InChI=1S/C24H28ClN3O2S/c1-18-6-7-20(15-26-18)14-21-16-27-24(28-23(21)29)31-13-5-3-2-4-12-30-17-19-8-10-22(25)11-9-19/h6-11,15-16H,2-5,12-14,17H2,1H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085623
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(7-phenyl-heptyl...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C24H29N3OS/c1-19-13-14-21(17-25-19)16-22-18-26-24(27-23(22)28)29-15-9-4-2-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-14,17-18H,2-4,6,9-10,15-16H2,1H3,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085622
PNG
(5-(1-Methyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-...)
Show SMILES Cn1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cc1=O
Show InChI InChI=1S/C25H31N3O2S/c1-28-15-14-21(18-23(28)29)17-22-19-26-25(27-24(22)30)31-16-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-15,18-19H,2-5,7,10-11,16-17H2,1H3,(H,26,27,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085624
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(8-phenyl-octyls...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C25H31N3OS/c1-20-14-15-22(18-26-20)17-23-19-27-25(28-24(23)29)30-16-10-5-3-2-4-7-11-21-12-8-6-9-13-21/h6,8-9,12-15,18-19H,2-5,7,10-11,16-17H2,1H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085626
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyri...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCSc1ncc(Cc2cncnc2)c(=O)[nH]1
Show InChI InChI=1S/C23H25ClN4O2S/c24-20-9-7-18(8-10-20)21(29)6-4-2-1-3-5-11-31-23-27-15-19(22(30)28-23)12-17-13-25-16-26-14-17/h7-10,13-16H,1-6,11-12H2,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 54n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085625
PNG
(2-(8-Phenyl-octylsulfanyl)-5-pyridin-3-ylmethyl-1H...)
Show SMILES O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1cccnc1
Show InChI InChI=1S/C24H29N3OS/c28-23-22(17-21-14-10-15-25-18-21)19-26-24(27-23)29-16-9-4-2-1-3-6-11-20-12-7-5-8-13-20/h5,7-8,10,12-15,18-19H,1-4,6,9,11,16-17H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085627
PNG
(2-(7-Phenyl-heptylsulfanyl)-5-pyridin-3-ylmethyl-1...)
Show SMILES O=c1[nH]c(SCCCCCCCc2ccccc2)ncc1Cc1cccnc1
Show InChI InChI=1S/C23H27N3OS/c27-22-21(16-20-13-9-14-24-17-20)18-25-23(26-22)28-15-8-3-1-2-5-10-19-11-6-4-7-12-19/h4,6-7,9,11-14,17-18H,1-3,5,8,10,15-16H2,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085628
PNG
(2-[7-(4-Chloro-phenylsulfanyl)-heptylsulfanyl]-5-p...)
Show SMILES Clc1ccc(SCCCCCCCSc2ncc(Cc3cccnc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H26ClN3OS2/c24-20-8-10-21(11-9-20)29-13-4-2-1-3-5-14-30-23-26-17-19(22(28)27-23)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085631
PNG
(2-[8-(3-Chloro-phenyl)-octylsulfanyl]-5-pyridin-3-...)
Show SMILES Clc1cccc(CCCCCCCCSc2ncc(Cc3cccnc3)c(=O)[nH]2)c1
Show InChI InChI=1S/C24H28ClN3OS/c25-22-12-7-10-19(16-22)9-5-3-1-2-4-6-14-30-24-27-18-21(23(29)28-24)15-20-11-8-13-26-17-20/h7-8,10-13,16-18H,1-6,9,14-15H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085630
PNG
(2-Benzylsulfanyl-5-pyridin-3-ylmethyl-1H-pyrimidin...)
Show SMILES O=c1[nH]c(SCc2ccccc2)ncc1Cc1cccnc1
Show InChI InChI=1S/C17H15N3OS/c21-16-15(9-14-7-4-8-18-10-14)11-19-17(20-16)22-12-13-5-2-1-3-6-13/h1-8,10-11H,9,12H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085636
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-phenethylsulfany...)
Show SMILES Cc1ccc(Cc2cnc(SCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C19H19N3OS/c1-14-7-8-16(12-20-14)11-17-13-21-19(22-18(17)23)24-10-9-15-5-3-2-4-6-15/h2-8,12-13H,9-11H2,1H3,(H,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085634
PNG
(2-[8-(4-Chloro-phenyl)-octylsulfanyl]-5-pyridin-3-...)
Show SMILES Clc1ccc(CCCCCCCCSc2ncc(Cc3cccnc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C24H28ClN3OS/c25-22-12-10-19(11-13-22)8-5-3-1-2-4-6-15-30-24-27-18-21(23(29)28-24)16-20-9-7-14-26-17-20/h7,9-14,17-18H,1-6,8,15-16H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085635
PNG
(5-(4,6-Dimethyl-pyridin-3-ylmethyl)-2-(8-phenyl-oc...)
Show SMILES Cc1cc(C)c(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C26H33N3OS/c1-20-16-21(2)27-18-23(20)17-24-19-28-26(29-25(24)30)31-15-11-6-4-3-5-8-12-22-13-9-7-10-14-22/h7,9-10,13-14,16,18-19H,3-6,8,11-12,15,17H2,1-2H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085633
PNG
(5-(1-Butyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2...)
Show SMILES CCCCn1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cc1=O
Show InChI InChI=1S/C28H37N3O2S/c1-2-3-17-31-18-16-24(21-26(31)32)20-25-22-29-28(30-27(25)33)34-19-12-7-5-4-6-9-13-23-14-10-8-11-15-23/h8,10-11,14-16,18,21-22H,2-7,9,12-13,17,19-20H2,1H3,(H,29,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085632
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(4-phenyl-butoxy...)
Show SMILES Cc1ccc(Cc2cnc(OCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C21H23N3O2/c1-16-10-11-18(14-22-16)13-19-15-23-21(24-20(19)25)26-12-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,10-11,14-15H,5-6,9,12-13H2,1H3,(H,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085637
PNG
(2-Benzylsulfanyl-5-pyridin-4-ylmethyl-1H-pyrimidin...)
Show SMILES O=c1[nH]c(SCc2ccccc2)ncc1Cc1ccncc1
Show InChI InChI=1S/C17H15N3OS/c21-16-15(10-13-6-8-18-9-7-13)11-19-17(20-16)22-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085638
PNG
(2-(4-Chloro-benzylsulfanyl)-5-pyridin-3-ylmethyl-1...)
Show SMILES Clc1ccc(CSc2ncc(Cc3cccnc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C17H14ClN3OS/c18-15-5-3-12(4-6-15)11-23-17-20-10-14(16(22)21-17)8-13-2-1-7-19-9-13/h1-7,9-10H,8,11H2,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 4.40E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085640
PNG
(2-(9-Phenyl-nonylsulfanyl)-5-pyridin-3-ylmethyl-1H...)
Show SMILES O=c1[nH]c(SCCCCCCCCCc2ccccc2)ncc1Cc1cccnc1
Show InChI InChI=1S/C25H31N3OS/c29-24-23(18-22-15-11-16-26-19-22)20-27-25(28-24)30-17-10-5-3-1-2-4-7-12-21-13-8-6-9-14-21/h6,8-9,11,13-16,19-20H,1-5,7,10,12,17-18H2,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085639
PNG
(2-(8-Oxo-8-thiophen-2-yl-octylsulfanyl)-5-pyridin-...)
Show SMILES O=C(CCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1)c1cccs1
Show InChI InChI=1S/C22H25N3O2S2/c26-19(20-10-7-13-28-20)9-4-2-1-3-5-12-29-22-24-16-18(21(27)25-22)14-17-8-6-11-23-15-17/h6-8,10-11,13,15-16H,1-5,9,12,14H2,(H,24,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085644
PNG
(2-[7-(4-Chloro-benzenesulfonyl)-heptylsulfanyl]-5-...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)CCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1
Show InChI InChI=1S/C23H26ClN3O3S2/c24-20-8-10-21(11-9-20)32(29,30)14-5-3-1-2-4-13-31-23-26-17-19(22(28)27-23)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.26E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085641
PNG
(5-(2-Oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phen...)
Show SMILES O=c1cc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cc[nH]1
Show InChI InChI=1S/C24H29N3O2S/c28-22-17-20(13-14-25-22)16-21-18-26-24(27-23(21)29)30-15-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-14,17-18H,1-4,6,9-10,15-16H2,(H,25,28)(H,26,27,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085642
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(5-phenyl-pentyl...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C22H25N3OS/c1-17-11-12-19(15-23-17)14-20-16-24-22(25-21(20)26)27-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-16H,3,6-7,10,13-14H2,1H3,(H,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085645
PNG
(5-(2-Methoxy-pyridin-4-ylmethyl)-2-(8-phenyl-octyl...)
Show SMILES COc1cc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)ccn1
Show InChI InChI=1S/C25H31N3O2S/c1-30-23-18-21(14-15-26-23)17-22-19-27-25(28-24(22)29)31-16-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-15,18-19H,2-5,7,10-11,16-17H2,1H3,(H,27,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085647
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(6-phenyl-hexyls...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C23H27N3OS/c1-18-12-13-20(16-24-18)15-21-17-25-23(26-22(21)27)28-14-8-3-2-5-9-19-10-6-4-7-11-19/h4,6-7,10-13,16-17H,2-3,5,8-9,14-15H2,1H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085643
PNG
(5-(6-Methyl-pyridin-3-ylmethyl)-2-(9-phenyl-nonyls...)
Show SMILES Cc1ccc(Cc2cnc(SCCCCCCCCCc3ccccc3)[nH]c2=O)cn1
Show InChI InChI=1S/C26H33N3OS/c1-21-15-16-23(19-27-21)18-24-20-28-26(29-25(24)30)31-17-11-6-4-2-3-5-8-12-22-13-9-7-10-14-22/h7,9-10,13-16,19-20H,2-6,8,11-12,17-18H2,1H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 990n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085646
PNG
(2-[8-(4-Acetyl-phenyl)-octylsulfanyl]-5-pyridin-3-...)
Show SMILES CC(=O)c1ccc(CCCCCCCCSc2ncc(Cc3cccnc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C26H31N3O2S/c1-20(30)23-13-11-21(12-14-23)9-6-4-2-3-5-7-16-32-26-28-19-24(25(31)29-26)17-22-10-8-15-27-18-22/h8,10-15,18-19H,2-7,9,16-17H2,1H3,(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085650
PNG
(2-[8-(4-Methoxy-phenyl)-octylsulfanyl]-5-(6-methyl...)
Show SMILES COc1ccc(CCCCCCCCSc2ncc(Cc3ccc(C)nc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C26H33N3O2S/c1-20-10-11-22(18-27-20)17-23-19-28-26(29-25(23)30)32-16-8-6-4-3-5-7-9-21-12-14-24(31-2)15-13-21/h10-15,18-19H,3-9,16-17H2,1-2H3,(H,28,29,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085654
PNG
(2-(4-Fluoro-benzylsulfanyl)-5-pyrimidin-5-ylmethyl...)
Show SMILES Fc1ccc(CSc2ncc(Cc3cncnc3)c(=O)[nH]2)cc1
Show InChI InChI=1S/C16H13FN4OS/c17-14-3-1-11(2-4-14)9-23-16-20-8-13(15(22)21-16)5-12-6-18-10-19-7-12/h1-4,6-8,10H,5,9H2,(H,20,21,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085651
PNG
(2-[9-(4-Chloro-phenyl)-9-oxo-nonylsulfanyl]-5-pyri...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1
Show InChI InChI=1S/C25H28ClN3O2S/c26-22-12-10-20(11-13-22)23(30)9-5-3-1-2-4-6-15-32-25-28-18-21(24(31)29-25)16-19-8-7-14-27-17-19/h7-8,10-14,17-18H,1-6,9,15-16H2,(H,28,29,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 650n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085652
PNG
(2-(8-Phenyl-octylsulfanyl)-5-pyridin-4-ylmethyl-1H...)
Show SMILES O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1ccncc1
Show InChI InChI=1S/C24H29N3OS/c28-23-22(18-21-13-15-25-16-14-21)19-26-24(27-23)29-17-9-4-2-1-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-16,19H,1-4,6,9-10,17-18H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 630n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085653
PNG
(2-[7-(4-Chloro-benzenesulfinyl)-heptylsulfanyl]-5-...)
Show SMILES Clc1ccc(cc1)S(=O)CCCCCCCSc1ncc(Cc2cccnc2)c(=O)[nH]1
Show InChI InChI=1S/C23H26ClN3O2S2/c24-20-8-10-21(11-9-20)31(29)14-5-3-1-2-4-13-30-23-26-17-19(22(28)27-23)15-18-7-6-12-25-16-18/h6-12,16-17H,1-5,13-15H2,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085655
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octyloxy]-5-pyridin-3...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCOc1ncc(Cc2cccnc2)c(=O)[nH]1
Show InChI InChI=1S/C24H26ClN3O3/c25-21-11-9-19(10-12-21)22(29)8-4-2-1-3-5-14-31-24-27-17-20(23(30)28-24)15-18-7-6-13-26-16-18/h6-7,9-13,16-17H,1-5,8,14-15H2,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 64n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085648
PNG
(2-[8-(4-Chloro-phenyl)-8-oxo-octylsulfanyl]-5-pyra...)
Show SMILES Clc1ccc(cc1)C(=O)CCCCCCCSc1ncc(Cc2cnccn2)c(=O)[nH]1
Show InChI InChI=1S/C23H25ClN4O2S/c24-19-9-7-17(8-10-19)21(29)6-4-2-1-3-5-13-31-23-27-15-18(22(30)28-23)14-20-16-25-11-12-26-20/h7-12,15-16H,1-6,13-14H2,(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 640n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50085649
PNG
(2-Benzylsulfanyl-5-pyrimidin-5-ylmethyl-1H-pyrimid...)
Show SMILES O=c1[nH]c(SCc2ccccc2)ncc1Cc1cncnc1
Show InChI InChI=1S/C16H14N4OS/c21-15-14(6-13-7-17-11-18-8-13)9-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-5,7-9,11H,6,10H2,(H,19,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2)


Bioorg Med Chem Lett 10: 395-8 (2000)


Article DOI: 10.1016/s0960-894x(00)00002-0
BindingDB Entry DOI: 10.7270/Q25X285S
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50093911
PNG
(2-Benzylsulfanyl-5-pyrimidin-5-ylmethyl-1-(2-thiop...)
Show SMILES O=c1nc(SCc2ccccc2)n(CCc2cccs2)cc1Cc1cncnc1
Show InChI InChI=1S/C22H20N4OS2/c27-21-19(11-18-12-23-16-24-13-18)14-26(9-8-20-7-4-10-28-20)22(25-21)29-15-17-5-2-1-3-6-17/h1-7,10,12-14,16H,8-9,11,15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 350n/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)


Article DOI: 10.1016/s0960-894x(00)00510-2
BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
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
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 3n/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)


Article DOI: 10.1016/s0960-894x(00)00510-2
BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
LDL-associated phospholipase A2


(Homo sapiens)
BDBM50093914
PNG
(2-Benzylsulfanyl-5-pyrimidin-5-ylmethyl-1-thiophen...)
Show SMILES O=c1nc(SCc2ccccc2)n(Cc2cccs2)cc1Cc1cncnc1
Show InChI InChI=1S/C21H18N4OS2/c26-20-18(9-17-10-22-15-23-11-17)12-25(13-19-7-4-8-27-19)21(24-20)28-14-16-5-2-1-3-6-16/h1-8,10-12,15H,9,13-14H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 210n/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)


Article DOI: 10.1016/s0960-894x(00)00510-2
BindingDB Entry DOI: 10.7270/Q2B857C6
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 491 total )  |  Next  |  Last  >>
Jump to: