Compile Data Set for Download or QSAR

Found 54 hits Enz. Inhib. hit(s) with all data for entry = 50012345   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117772 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117772 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of the Phospholipase A2 (Lp-PLA2) enzyme in whole human plasma				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117785 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CC(=O)N3CCOCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C38H36F4N6O4S/c1-45-20-28(19-43-45)18-31-22-48(37(44-36(31)51)53-25-27-4-12-33(39)13-5-27)24-35(50)47(23-34(49)46-14-16-52-17-15-46)21-26-2-6-29(7-3-26)30-8-10-32(11-9-30)38(40,41)42/h2-13,19-20,22H,14-18,21,23-25H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117802 (CHEMBL87100 | N-(2-Ethylamino-ethyl)-2-[2-(4-fluor...) Show SMILES CCNCCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H36F4N6O2S/c1-3-41-16-17-45(21-25-4-8-28(9-5-25)29-10-12-31(13-11-29)36(38,39)40)33(47)23-46-22-30(18-27-19-42-44(2)20-27)34(48)43-35(46)49-24-26-6-14-32(37)15-7-26/h4-15,19-20,22,41H,3,16-18,21,23-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117788 (CHEMBL407553 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(CCO)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C37H40ClFN6O3S/c1-3-43(18-19-46)16-17-44(23-27-4-8-30(9-5-27)31-10-12-33(38)13-11-31)35(47)25-45-24-32(20-29-21-40-42(2)22-29)36(48)41-37(45)49-26-28-6-14-34(39)15-7-28/h4-15,21-22,24,46H,3,16-20,23,25-26H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117778 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C39H40F4N6O2S/c1-46-23-30(22-44-46)21-33-25-49(38(45-37(33)51)52-27-29-7-15-35(40)16-8-29)26-36(50)48(20-19-47-17-3-2-4-18-47)24-28-5-9-31(10-6-28)32-11-13-34(14-12-32)39(41,42)43/h5-16,22-23,25H,2-4,17-21,24,26-27H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117801 (CHEMBL87787 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2-...) Show SMILES COc1ncc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C34H31ClFN5O4S/c1-45-33-37-17-25(18-38-33)16-28-20-41(34(39-32(28)44)46-22-24-4-12-30(36)13-5-24)21-31(43)40(14-15-42)19-23-2-6-26(7-3-23)27-8-10-29(35)11-9-27/h2-13,17-18,20,42H,14-16,19,21-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117775 (CHEMBL84894 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES COc1ncc(Cc2cn(CC(=O)N(CC(=O)N(C)C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C36H34ClFN6O4S/c1-42(2)32(45)21-43(19-24-4-8-27(9-5-24)28-10-12-30(37)13-11-28)33(46)22-44-20-29(16-26-17-39-35(48-3)40-18-26)34(47)41-36(44)49-23-25-6-14-31(38)15-7-25/h4-15,17-18,20H,16,19,21-23H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117780 (CHEMBL85080 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CN(C)C(=O)CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H34ClFN6O3S/c1-40(2)32(44)21-42(19-24-4-8-27(9-5-24)28-10-12-30(36)13-11-28)33(45)22-43-20-29(16-26-17-38-41(3)18-26)34(46)39-35(43)47-23-25-6-14-31(37)15-7-25/h4-15,17-18,20H,16,19,21-23H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117791 (CHEMBL87156 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CCNCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H36ClFN6O2S/c1-3-38-16-17-42(21-25-4-8-28(9-5-25)29-10-12-31(36)13-11-29)33(44)23-43-22-30(18-27-19-39-41(2)20-27)34(45)40-35(43)46-24-26-6-14-32(37)15-7-26/h4-15,19-20,22,38H,3,16-18,21,23-24H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117794 (CHEMBL314954 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES COc1ncc(Cc2cn(CC(=O)N(CCN(C)C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C36H36ClFN6O3S/c1-42(2)16-17-43(21-25-4-8-28(9-5-25)29-10-12-31(37)13-11-29)33(45)23-44-22-30(18-27-19-39-35(47-3)40-20-27)34(46)41-36(44)48-24-26-6-14-32(38)15-7-26/h4-15,19-20,22H,16-18,21,23-24H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117790 (CHEMBL315504 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CC(C)N(CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1)C(C)C Show InChI InChI=1S/C39H44ClFN6O2S/c1-27(2)47(28(3)4)19-18-45(23-29-6-10-32(11-7-29)33-12-14-35(40)15-13-33)37(48)25-46-24-34(20-31-21-42-44(5)22-31)38(49)43-39(46)50-26-30-8-16-36(41)17-9-30/h6-17,21-22,24,27-28H,18-20,23,25-26H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50107505 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117800 (CHEMBL328527 | N-Dimethylcarbamoylmethyl-2-[2-(4-f...) Show SMILES CN(C)C(=O)CN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H34F4N6O3S/c1-43(2)32(47)21-45(19-24-4-8-27(9-5-24)28-10-12-30(13-11-28)36(38,39)40)33(48)22-46-20-29(16-26-17-41-44(3)18-26)34(49)42-35(46)50-23-25-6-14-31(37)15-7-25/h4-15,17-18,20H,16,19,21-23H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117773 (CHEMBL85179 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2-...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C38H40ClFN6O2S/c1-43-23-30(22-41-43)21-33-25-46(38(42-37(33)48)49-27-29-7-15-35(40)16-8-29)26-36(47)45(20-19-44-17-3-2-4-18-44)24-28-5-9-31(10-6-28)32-11-13-34(39)14-12-32/h5-16,22-23,25H,2-4,17-21,24,26-27H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117782 (CHEMBL315766 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(CC)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H42ClFN6O2S/c1-4-44(5-2)19-6-20-45(24-28-7-11-31(12-8-28)32-13-15-34(39)16-14-32)36(47)26-46-25-33(21-30-22-41-43(3)23-30)37(48)42-38(46)49-27-29-9-17-35(40)18-10-29/h7-18,22-23,25H,4-6,19-21,24,26-27H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117784 (CHEMBL87355 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CN(C)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38ClFN6O2S/c1-41(2)17-4-18-43(22-26-5-9-29(10-6-26)30-11-13-32(37)14-12-30)34(45)24-44-23-31(19-28-20-39-42(3)21-28)35(46)40-36(44)47-25-27-7-15-33(38)16-8-27/h5-16,20-21,23H,4,17-19,22,24-25H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117776 (CHEMBL262376 | N-{2-[Bis-(2-hydroxy-ethyl)-amino]-...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN(CCO)CCO)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C37H40ClFN6O4S/c1-42-22-29(21-40-42)20-32-24-45(37(41-36(32)49)50-26-28-4-12-34(39)13-5-28)25-35(48)44(15-14-43(16-18-46)17-19-47)23-27-2-6-30(7-3-27)31-8-10-33(38)11-9-31/h2-13,21-22,24,46-47H,14-20,23,25-26H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117777 (CHEMBL415274 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H36ClFN6O2S/c1-40(2)16-17-42(21-25-4-8-28(9-5-25)29-10-12-31(36)13-11-29)33(44)23-43-22-30(18-27-19-38-41(3)20-27)34(45)39-35(43)46-24-26-6-14-32(37)15-7-26/h4-15,19-20,22H,16-18,21,23-24H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117774 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C34H31F4N5O3S/c1-41-18-25(17-39-41)16-28-20-43(33(40-32(28)46)47-22-24-4-12-30(35)13-5-24)21-31(45)42(14-15-44)19-23-2-6-26(7-3-23)27-8-10-29(11-9-27)34(36,37)38/h2-13,17-18,20,44H,14-16,19,21-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117796 (CHEMBL276856 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C33H31ClFN5O3S/c1-38-18-25(17-36-38)16-28-20-40(33(37-32(28)43)44-22-24-4-12-30(35)13-5-24)21-31(42)39(14-15-41)19-23-2-6-26(7-3-23)27-8-10-29(34)11-9-27/h2-13,17-18,20,41H,14-16,19,21-22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117789 (CHEMBL86932 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C37H40ClFN6O2S/c1-4-43(5-2)18-19-44(23-27-6-10-30(11-7-27)31-12-14-33(38)15-13-31)35(46)25-45-24-32(20-29-21-40-42(3)22-29)36(47)41-37(45)48-26-28-8-16-34(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 antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117783 (CHEMBL87792 | N-(2-Dimethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H36F4N6O2S/c1-43(2)16-17-45(21-25-4-8-28(9-5-25)29-10-12-31(13-11-29)36(38,39)40)33(47)23-46-22-30(18-27-19-41-44(3)20-27)34(48)42-35(46)49-24-26-6-14-32(37)15-7-26/h4-15,19-20,22H,16-18,21,23-24H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117781 (CHEMBL405981 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C37H38ClFN6O2S/c1-42-22-29(21-40-42)20-32-24-45(37(41-36(32)47)48-26-28-6-14-34(39)15-7-28)25-35(46)44(19-18-43-16-2-3-17-43)23-27-4-8-30(9-5-27)31-10-12-33(38)13-11-31/h4-15,21-22,24H,2-3,16-20,23,25-26H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117787 (CHEMBL89750 | [{2-[2-(4-Fluoro-benzylsulfanyl)-5-(...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CC(O)=O)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C34H29F4N5O4S/c1-41-16-24(15-39-41)14-27-18-43(33(40-32(27)47)48-21-23-4-12-29(35)13-5-23)19-30(44)42(20-31(45)46)17-22-2-6-25(7-3-22)26-8-10-28(11-9-26)34(36,37)38/h2-13,15-16,18H,14,17,19-21H2,1H3,(H,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117793 (CHEMBL89234 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2-...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCCN3CCCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C38H40ClFN6O2S/c1-43-23-30(22-41-43)21-33-25-46(38(42-37(33)48)49-27-29-7-15-35(40)16-8-29)26-36(47)45(20-4-19-44-17-2-3-18-44)24-28-5-9-31(10-6-28)32-11-13-34(39)14-12-32/h5-16,22-23,25H,2-4,17-21,24,26-27H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117797 (CHEMBL86367 | N-(3-Dimethylamino-propyl)-2-[2-(4-f...) Show SMILES CN(C)CCCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C37H38F4N6O2S/c1-44(2)17-4-18-46(22-26-5-9-29(10-6-26)30-11-13-32(14-12-30)37(39,40)41)34(48)24-47-23-31(19-28-20-42-45(3)21-28)35(49)43-36(47)50-25-27-7-15-33(38)16-8-27/h5-16,20-21,23H,4,17-19,22,24-25H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117795 (((4'-Chloro-biphenyl-4-ylmethyl)-{2-[2-(4-fluoro-b...) Show SMILES COc1ncc(Cc2cn(CC(=O)N(CC(O)=O)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C34H29ClFN5O5S/c1-46-33-37-15-24(16-38-33)14-27-18-41(34(39-32(27)45)47-21-23-4-12-29(36)13-5-23)19-30(42)40(20-31(43)44)17-22-2-6-25(7-3-22)26-8-10-28(35)11-9-26/h2-13,15-16,18H,14,17,19-21H2,1H3,(H,43,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50107496 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117803 (CHEMBL328064 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCOCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C37H38ClFN6O3S/c1-42-22-29(21-40-42)20-32-24-45(37(41-36(32)47)49-26-28-4-12-34(39)13-5-28)25-35(46)44(15-14-43-16-18-48-19-17-43)23-27-2-6-30(7-3-27)31-8-10-33(38)11-9-31/h2-13,21-22,24H,14-20,23,25-26H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117779 (CHEMBL316435 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C33H31ClFN5O2S/c1-3-39(19-23-4-8-26(9-5-23)27-10-12-29(34)13-11-27)31(41)21-40-20-28(16-25-17-36-38(2)18-25)32(42)37-33(40)43-22-24-6-14-30(35)15-7-24/h4-15,17-18,20H,3,16,19,21-22H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117786 (CHEMBL87071 | N-(2-Amino-ethyl)-N-(4'-chloro-biphe...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C33H32ClFN6O2S/c1-39-18-25(17-37-39)16-28-20-41(33(38-32(28)43)44-22-24-4-12-30(35)13-5-24)21-31(42)40(15-14-36)19-23-2-6-26(7-3-23)27-8-10-29(34)11-9-27/h2-13,17-18,20H,14-16,19,21-22,36H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117799 (CHEMBL327705 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES CN1CCN(CCCN(Cc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)Cn2cc(Cc3cnn(C)c3)c(=O)nc2SCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C39H43ClFN7O2S/c1-44-18-20-46(21-19-44)16-3-17-47(25-29-4-8-32(9-5-29)33-10-12-35(40)13-11-33)37(49)27-48-26-34(22-31-23-42-45(2)24-31)38(50)43-39(48)51-28-30-6-14-36(41)15-7-30/h4-15,23-24,26H,3,16-22,25,27-28H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117772 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117792 (CHEMBL312994 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES COCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C34H33ClFN5O3S/c1-39-19-26(18-37-39)17-29-21-41(34(38-33(29)43)45-23-25-5-13-31(36)14-6-25)22-32(42)40(15-16-44-2)20-24-3-7-27(8-4-24)28-9-11-30(35)12-10-28/h3-14,18-19,21H,15-17,20,22-23H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Platelet-activating factor acetylhydrolase (Homo sapiens (Human))	BDBM50117798 (CHEMBL423867 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCCN3CCOCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C38H40ClFN6O3S/c1-43-23-30(22-41-43)21-33-25-46(38(42-37(33)48)50-27-29-5-13-35(40)14-6-29)26-36(47)45(16-2-15-44-17-19-49-20-18-44)24-28-3-7-31(8-4-28)32-9-11-34(39)12-10-32/h3-14,22-23,25H,2,15-21,24,26-27H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against Lipoprotein-Associated Phospholipase A2 (Lp-PLA2) was estimated				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117775 (CHEMBL84894 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES COc1ncc(Cc2cn(CC(=O)N(CC(=O)N(C)C)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C36H34ClFN6O4S/c1-42(2)32(45)21-43(19-24-4-8-27(9-5-24)28-10-12-30(37)13-11-28)33(46)22-44-20-29(16-26-17-39-35(48-3)40-18-26)34(47)41-36(44)49-23-25-6-14-31(38)15-7-25/h4-15,17-18,20H,16,19,21-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117780 (CHEMBL85080 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CN(C)C(=O)CN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H34ClFN6O3S/c1-40(2)32(44)21-42(19-24-4-8-27(9-5-24)28-10-12-30(36)13-11-28)33(45)22-43-20-29(16-26-17-38-41(3)18-26)34(46)39-35(43)47-23-25-6-14-31(37)15-7-25/h4-15,17-18,20H,16,19,21-23H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117782 (CHEMBL315766 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CCN(CC)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C38H42ClFN6O2S/c1-4-44(5-2)19-6-20-45(24-28-7-11-31(12-8-28)32-13-15-34(39)16-14-32)36(47)26-46-25-33(21-30-22-41-43(3)23-30)37(48)42-38(46)49-27-29-9-17-35(40)18-10-29/h7-18,22-23,25H,4-6,19-21,24,26-27H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117789 (CHEMBL86932 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C37H40ClFN6O2S/c1-4-43(5-2)18-19-44(23-27-6-10-30(11-7-27)31-12-14-33(38)15-13-31)35(46)25-45-24-32(20-29-21-40-42(3)22-29)36(47)41-37(45)48-26-28-8-16-34(39)17-9-28/h6-17,21-22,24H,4-5,18-20,23,25-26H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117781 (CHEMBL405981 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCC3)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C37H38ClFN6O2S/c1-42-22-29(21-40-42)20-32-24-45(37(41-36(32)47)48-26-28-6-14-34(39)15-7-28)25-35(46)44(19-18-43-16-2-3-17-43)23-27-4-8-30(9-5-27)31-10-12-33(38)13-11-31/h4-15,21-22,24H,2-3,16-20,23,25-26H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117777 (CHEMBL415274 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N...) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H36ClFN6O2S/c1-40(2)16-17-42(21-25-4-8-28(9-5-25)29-10-12-31(36)13-11-29)33(44)23-43-22-30(18-27-19-38-41(3)20-27)34(45)39-35(43)46-24-26-6-14-32(37)15-7-26/h4-15,19-20,22H,16-18,21,23-24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117799 (CHEMBL327705 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES CN1CCN(CCCN(Cc2ccc(cc2)-c2ccc(Cl)cc2)C(=O)Cn2cc(Cc3cnn(C)c3)c(=O)nc2SCc2ccc(F)cc2)CC1 Show InChI InChI=1S/C39H43ClFN7O2S/c1-44-18-20-46(21-19-44)16-3-17-47(25-29-4-8-32(9-5-29)33-10-12-35(40)13-11-33)37(49)27-48-26-34(22-31-23-42-45(2)24-31)38(50)43-39(48)51-28-30-6-14-36(41)15-7-30/h4-15,23-24,26H,3,16-22,25,27-28H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117778 (2-[2-(4-Fluoro-benzylsulfanyl)-5-(1-methyl-1H-pyra...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN3CCCCC3)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C39H40F4N6O2S/c1-46-23-30(22-44-46)21-33-25-49(38(45-37(33)51)52-27-29-7-15-35(40)16-8-29)26-36(50)48(20-19-47-17-3-2-4-18-47)24-28-5-9-31(10-6-28)32-11-13-34(14-12-32)39(41,42)43/h5-16,22-23,25H,2-4,17-21,24,26-27H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117772 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117786 (CHEMBL87071 | N-(2-Amino-ethyl)-N-(4'-chloro-biphe...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCN)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C33H32ClFN6O2S/c1-39-18-25(17-37-39)16-28-20-41(33(38-32(28)43)44-22-24-4-12-30(35)13-5-24)21-31(42)40(15-14-36)19-23-2-6-26(7-3-23)27-8-10-29(34)11-9-27/h2-13,17-18,20H,14-16,19,21-22,36H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117784 (CHEMBL87355 | N-(4'-Chloro-biphenyl-4-ylmethyl)-N-...) Show SMILES CN(C)CCCN(Cc1ccc(cc1)-c1ccc(Cl)cc1)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H38ClFN6O2S/c1-41(2)17-4-18-43(22-26-5-9-29(10-6-26)30-11-13-32(37)14-12-30)34(45)24-44-23-31(19-28-20-39-42(3)21-28)35(46)40-36(44)47-25-27-7-15-33(38)16-8-27/h5-16,20-21,23H,4,17-19,22,24-25H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117796 (CHEMBL276856 | N-(4'-Chloro-biphenyl-4-ylmethyl)-2...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CCO)Cc3ccc(cc3)-c3ccc(Cl)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C33H31ClFN5O3S/c1-38-18-25(17-36-38)16-28-20-40(33(37-32(28)43)44-22-24-4-12-30(35)13-5-24)21-31(42)39(14-15-41)19-23-2-6-26(7-3-23)27-8-10-29(34)11-9-27/h2-13,17-18,20,41H,14-16,19,21-22H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117783 (CHEMBL87792 | N-(2-Dimethylamino-ethyl)-2-[2-(4-fl...) Show SMILES CN(C)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C36H36F4N6O2S/c1-43(2)16-17-45(21-25-4-8-28(9-5-25)29-10-12-31(13-11-29)36(38,39)40)33(47)23-46-22-30(18-27-19-41-44(3)20-27)34(48)42-35(46)49-24-26-6-14-32(37)15-7-26/h4-15,19-20,22H,16-18,21,23-24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50117787 (CHEMBL89750 | [{2-[2-(4-Fluoro-benzylsulfanyl)-5-(...) Show SMILES Cn1cc(Cc2cn(CC(=O)N(CC(O)=O)Cc3ccc(cc3)-c3ccc(cc3)C(F)(F)F)c(SCc3ccc(F)cc3)nc2=O)cn1 Show InChI InChI=1S/C34H29F4N5O4S/c1-41-16-24(15-39-41)14-27-18-43(33(40-32(27)47)48-21-23-4-12-29(35)13-5-23)19-30(44)42(20-31(45)46)17-22-2-6-25(7-3-22)26-8-10-28(11-9-26)34(36,37)38/h2-13,15-16,18H,14,17,19-21H2,1H3,(H,45,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of cytochrome P450 3A4				Bioorg Med Chem Lett 12: 2603-6 (2002) BindingDB Entry DOI: 10.7270/Q2G44PNN
					More data for this Ligand-Target Pair

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