Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 50043629   

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
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50006805 (3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isoprop...) Show SMILES CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1 Show InChI InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443842 (CHEMBL3094426) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C22H24BrClN4O2S2/c1-3-4-5-6-7-16(20(29)30)32-21-25-17(24)12-18(26-21)27-22-28-19(13(2)31-22)14-8-10-15(23)11-9-14/h8-12,16H,3-7H2,1-2H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443828 (CHEMBL3094412) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443831 (CHEMBL3091499) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(C)cc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-6-7-17(20(28)29)31-22-25-18(23)12-19(27-22)26-21-24-16(13-30-21)15-10-8-14(2)9-11-15/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443839 (CHEMBL3094410) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc-3c(CCc4cc(OC)ccc-34)s2)n1)C(O)=O Show InChI InChI=1S/C24H27ClN4O3S2/c1-3-4-5-6-7-18(22(30)31)34-23-26-19(25)13-20(27-23)28-24-29-21-16-10-9-15(32-2)12-14(16)8-11-17(21)33-24/h9-10,12-13,18H,3-8,11H2,1-2H3,(H,30,31)(H,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443818 (CHEMBL3094422) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-8-11-22(25(33)34)36-27-30-23(28)16-24(32-27)31-26-29-21(17-35-26)20-14-12-19(13-15-20)18-9-6-5-7-10-18/h5-7,9-10,12-17,22H,2-4,8,11H2,1H3,(H,33,34)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443826 (CHEMBL3094414) Show SMILES CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443821 (CHEMBL3094419) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)n1)C(O)=O Show InChI InChI=1S/C21H21Cl3N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(24)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(22)14(23)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443828 (CHEMBL3094412) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443830 (CHEMBL3091500) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22BrClN4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443827 (CHEMBL3094413) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443828 (CHEMBL3094412) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443822 (CHEMBL3094418) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3CCCCc3c2)n1)C(O)=O Show InChI InChI=1S/C25H29ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h11-15,20H,2-10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443820 (CHEMBL3094420) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)n1)C(O)=O Show InChI InChI=1S/C22H22ClF3N4O2S2/c1-2-3-4-5-6-16(19(31)32)34-21-28-17(23)11-18(30-21)29-20-27-15(12-33-20)13-7-9-14(10-8-13)22(24,25)26/h7-12,16H,2-6H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443819 (CHEMBL3094421) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2Cl)n1)C(O)=O Show InChI InChI=1S/C21H21Cl3N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(24)10-18(28-21)27-20-25-15(11-31-20)13-8-7-12(22)9-14(13)23/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443833 (CHEMBL3091497) Show SMILES OC(=O)C(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C25H16Cl2N4O2S2/c26-16-10-8-15(9-11-16)19-13-34-24(28-19)30-21-12-20(27)29-25(31-21)35-22(23(32)33)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,22H,(H,32,33)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443829 (CHEMBL3094411) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2cccc3ccccc23)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-13-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,14-15,20H,2-5,13H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443827 (CHEMBL3094413) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443822 (CHEMBL3094418) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3CCCCc3c2)n1)C(O)=O Show InChI InChI=1S/C25H29ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h11-15,20H,2-10H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443821 (CHEMBL3094419) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)n1)C(O)=O Show InChI InChI=1S/C21H21Cl3N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(24)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(22)14(23)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443833 (CHEMBL3091497) Show SMILES OC(=O)C(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C25H16Cl2N4O2S2/c26-16-10-8-15(9-11-16)19-13-34-24(28-19)30-21-12-20(27)29-25(31-21)35-22(23(32)33)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,22H,(H,32,33)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443818 (CHEMBL3094422) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-8-11-22(25(33)34)36-27-30-23(28)16-24(32-27)31-26-29-21(17-35-26)20-14-12-19(13-15-20)18-9-6-5-7-10-18/h5-7,9-10,12-17,22H,2-4,8,11H2,1H3,(H,33,34)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443827 (CHEMBL3094413) Show SMILES CCCCCC[C@@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)/t20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443818 (CHEMBL3094422) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-8-11-22(25(33)34)36-27-30-23(28)16-24(32-27)31-26-29-21(17-35-26)20-14-12-19(13-15-20)18-9-6-5-7-10-18/h5-7,9-10,12-17,22H,2-4,8,11H2,1H3,(H,33,34)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443840 (CHEMBL3094428) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443826 (CHEMBL3094414) Show SMILES CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443840 (CHEMBL3094428) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443820 (CHEMBL3094420) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(cc2)C(F)(F)F)n1)C(O)=O Show InChI InChI=1S/C22H22ClF3N4O2S2/c1-2-3-4-5-6-16(19(31)32)34-21-28-17(23)11-18(30-21)29-20-27-15(12-33-20)13-7-9-14(10-8-13)22(24,25)26/h7-12,16H,2-6H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443843 (CHEMBL3094429) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2cccc(c2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C24H26ClN3O2S/c1-2-3-4-8-14-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-13-9-12-18(15-19)17-10-6-5-7-11-17/h5-7,9-13,15-16,20H,2-4,8,14H2,1H3,(H,29,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443815 (CHEMBL3094425) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(C)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-9-12-16(20(28)29)31-21-24-17(23)13-18(25-21)26-22-27-19(14(2)30-22)15-10-7-6-8-11-15/h6-8,10-11,13,16H,3-5,9,12H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443831 (CHEMBL3091499) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(C)cc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O2S2/c1-3-4-5-6-7-17(20(28)29)31-22-25-18(23)12-19(27-22)26-21-24-16(13-30-21)15-10-8-14(2)9-11-15/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443838 (CHEMBL3094431) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22Cl2N4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443840 (CHEMBL3094428) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(s2)-c2ccccc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C27H27ClN4O2S2/c1-2-3-4-11-16-20(25(33)34)35-26-29-21(28)17-22(30-26)31-27-32-23(18-12-7-5-8-13-18)24(36-27)19-14-9-6-10-15-19/h5-10,12-15,17,20H,2-4,11,16H2,1H3,(H,33,34)(H,29,30,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443821 (CHEMBL3094419) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)n1)C(O)=O Show InChI InChI=1S/C21H21Cl3N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(24)10-18(28-21)27-20-25-15(11-31-20)12-7-8-13(22)14(23)9-12/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443829 (CHEMBL3094411) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2cccc3ccccc23)n1)C(O)=O Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-13-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-8-10-16-9-6-7-11-17(16)18/h6-12,14-15,20H,2-5,13H2,1H3,(H,31,32)(H,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443830 (CHEMBL3091500) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22BrClN4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443833 (CHEMBL3091497) Show SMILES OC(=O)C(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)c1cccc2ccccc12 Show InChI InChI=1S/C25H16Cl2N4O2S2/c26-16-10-8-15(9-11-16)19-13-34-24(28-19)30-21-12-20(27)29-25(31-21)35-22(23(32)33)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,22H,(H,32,33)(H,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443841 (CHEMBL3094427) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(c(CC)s2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C23H27ClN4O2S2/c1-3-5-6-10-13-17(21(29)30)32-22-25-18(24)14-19(26-22)27-23-28-20(16(4-2)31-23)15-11-8-7-9-12-15/h7-9,11-12,14,17H,3-6,10,13H2,1-2H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50273709 (2-(4-(Biphenyl-4-ylamino)-6-chloropyrimidine-2-ylt...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2ccc(cc2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C24H26ClN3O2S/c1-2-3-4-8-11-20(23(29)30)31-24-27-21(25)16-22(28-24)26-19-14-12-18(13-15-19)17-9-6-5-7-10-17/h5-7,9-10,12-16,20H,2-4,8,11H2,1H3,(H,29,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443830 (CHEMBL3091500) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Br)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22BrClN4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443819 (CHEMBL3094421) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2Cl)n1)C(O)=O Show InChI InChI=1S/C21H21Cl3N4O2S2/c1-2-3-4-5-6-16(19(29)30)32-21-26-17(24)10-18(28-21)27-20-25-15(11-31-20)13-8-7-12(22)9-14(13)23/h7-11,16H,2-6H2,1H3,(H,29,30)(H,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443838 (CHEMBL3094431) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C21H22Cl2N4O2S2/c1-2-3-4-5-6-16(19(28)29)31-21-25-17(23)11-18(27-21)26-20-24-15(12-30-20)13-7-9-14(22)10-8-13/h7-12,16H,2-6H2,1H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 using arachidonic acid as substrate incubated 5 to 10 mins prior to...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50443832 (CHEMBL3091498) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccccc2)n1)C(O)=O Show InChI InChI=1S/C21H23ClN4O2S2/c1-2-3-4-8-11-16(19(27)28)30-21-24-17(22)12-18(26-21)25-20-23-15(13-29-20)14-9-6-5-7-10-14/h5-7,9-10,12-13,16H,2-4,8,11H2,1H3,(H,27,28)(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of mPGES-1 from human A549 cell microsomal membranes using PGH2 as substrate incubated 15 mins prior to substrate addition measured after ...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443817 (CHEMBL3094423) Show SMILES CCCCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(OC)cc2)n1)C(O)=O Show InChI InChI=1S/C22H25ClN4O3S2/c1-3-4-5-6-7-17(20(28)29)32-22-25-18(23)12-19(27-22)26-21-24-16(13-31-21)14-8-10-15(30-2)11-9-14/h8-13,17H,3-7H2,1-2H3,(H,28,29)(H,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50000541 ((+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea |...) Show SMILES CC(N(O)C(N)=O)c1cc2ccccc2s1 Show InChI InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443826 (CHEMBL3094414) Show SMILES CCCCCC[C@H](Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc3ccccc3c2)n1)C(O)=O |r| Show InChI InChI=1S/C25H25ClN4O2S2/c1-2-3-4-5-10-20(23(31)32)34-25-28-21(26)14-22(30-25)29-24-27-19(15-33-24)18-12-11-16-8-6-7-9-17(16)13-18/h6-9,11-15,20H,2-5,10H2,1H3,(H,31,32)(H,27,28,29,30)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50443837 (CHEMBL3094432) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2nc(cs2)-c2ccc(Cl)cc2)n1)C(O)=O Show InChI InChI=1S/C19H18Cl2N4O2S2/c1-2-3-4-14(17(26)27)29-19-23-15(21)9-16(25-19)24-18-22-13(10-28-18)11-5-7-12(20)8-6-11/h5-10,14H,2-4H2,1H3,(H,26,27)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Goethe-University Frankfurt Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human polymorphonuclear leukocytes using arachidonic acid as substrate incubated 15 mins prior to s...				J Med Chem 56: 9031-44 (2013) Article DOI: 10.1021/jm401557w BindingDB Entry DOI: 10.7270/Q24B32R4
					More data for this Ligand-Target Pair

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