Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50033101   

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))	BDBM50339570 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-6-4-5-18(13-19)16-9-11-17(12-10-16)21-14-24(23-22-21)15-26-20-7-2-1-3-8-20/h1-14,25H,15H2	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
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339571 (4-{4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C32H23N3O5S/c36-32(37)25-16-18-27(19-17-25)41(38,39)35-20-30(33-34-35)24-14-12-23(13-15-24)28-9-3-2-7-26(28)21-40-31-11-5-8-22-6-1-4-10-29(22)31/h1-20H,21H2,(H,36,37)	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
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339571 (4-{4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C32H23N3O5S/c36-32(37)25-16-18-27(19-17-25)41(38,39)35-20-30(33-34-35)24-14-12-23(13-15-24)28-9-3-2-7-26(28)21-40-31-11-5-8-22-6-1-4-10-29(22)31/h1-20H,21H2,(H,36,37)	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
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339572 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-12-10-17(11-13-19)16-6-8-18(9-7-16)21-14-24(23-22-21)15-26-20-4-2-1-3-5-20/h1-14,25H,15H2	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
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339573 (4'-[1-(2-o-Tolyl-ethyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccc(N)cc1 Show InChI InChI=1S/C23H22N4/c1-17-4-2-3-5-18(17)14-15-27-16-23(25-26-27)21-8-6-19(7-9-21)20-10-12-22(24)13-11-20/h2-13,16H,14-15,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339574 (5-Dimethylamino-naphthalene-1-sulfonic acid{4'-[1-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C35H33N5O2S/c1-39(2)34-14-6-13-32-31(34)12-7-15-35(32)43(41,42)37-30-22-20-28(21-23-30)27-16-18-29(19-17-27)33-25-40(38-36-33)24-8-11-26-9-4-3-5-10-26/h3-7,9-10,12-23,25,37H,8,11,24H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339575 (4-(4-Biphenyl-4-yl-[1,2,3]triazol-1-ylmethyl)-3-ni...) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O4/c27-22(28)18-10-11-19(21(12-18)26(29)30)13-25-14-20(23-24-25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339574 (5-Dimethylamino-naphthalene-1-sulfonic acid{4'-[1-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C35H33N5O2S/c1-39(2)34-14-6-13-32-31(34)12-7-15-35(32)43(41,42)37-30-22-20-28(21-23-30)27-16-18-29(19-17-27)33-25-40(38-36-33)24-8-11-26-9-4-3-5-10-26/h3-7,9-10,12-23,25,37H,8,11,24H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339576 (4-(5-Benzyl-3-phenylsulfanylmethyl-3H-[1,2,3]triaz...) Show SMILES O=Cc1ccc(cc1)-c1c(Cc2ccccc2)nnn1CSc1ccccc1 Show InChI InChI=1S/C23H19N3OS/c27-16-19-11-13-20(14-12-19)23-22(15-18-7-3-1-4-8-18)24-25-26(23)17-28-21-9-5-2-6-10-21/h1-14,16H,15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339575 (4-(4-Biphenyl-4-yl-[1,2,3]triazol-1-ylmethyl)-3-ni...) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O4/c27-22(28)18-10-11-19(21(12-18)26(29)30)13-25-14-20(23-24-25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,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	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339577 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1 Show InChI InChI=1S/C31H25ClF3N3O/c32-28-17-16-26(31(33,34)35)19-30(28)39-21-25-10-4-5-11-27(25)23-12-14-24(15-13-23)29-20-38(37-36-29)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-17,19-20H,6,9,18,21H2	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	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339575 (4-(4-Biphenyl-4-yl-[1,2,3]triazol-1-ylmethyl)-3-ni...) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O4/c27-22(28)18-10-11-19(21(12-18)26(29)30)13-25-14-20(23-24-25)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,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	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339578 (Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Tria...) Show SMILES O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c21-17(14-7-3-1-4-8-14)22-12-15-11-20(19-18-15)13-23-16-9-5-2-6-10-16/h1-11H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339570 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-6-4-5-18(13-19)16-9-11-17(12-10-16)21-14-24(23-22-21)15-26-20-7-2-1-3-8-20/h1-14,25H,15H2	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	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339572 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-12-10-17(11-13-19)16-6-8-18(9-7-16)21-14-24(23-22-21)15-26-20-4-2-1-3-5-20/h1-14,25H,15H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339579 (4-(4-Phenanthren-9-yl-phenyl)-1-(3-phenyl-propyl)-...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C31H25N3/c1-2-9-23(10-3-1)11-8-20-34-22-31(32-33-34)25-18-16-24(17-19-25)30-21-26-12-4-5-13-27(26)28-14-6-7-15-29(28)30/h1-7,9-10,12-19,21-22H,8,11,20H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339578 (Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Tria...) Show SMILES O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c21-17(14-7-3-1-4-8-14)22-12-15-11-20(19-18-15)13-23-16-9-5-2-6-10-16/h1-11H,12-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339580 (4'-[1-(3-Phenyl-propyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C23H21N3O/c27-22-14-12-20(13-15-22)19-8-10-21(11-9-19)23-17-26(25-24-23)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17,27H,4,7,16H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339581 (4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]-1-...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O/c1-2-10-26(11-3-1)12-9-23-37-24-33(35-36-37)29-21-19-28(20-22-29)31-16-6-5-14-30(31)25-38-34-18-8-15-27-13-4-7-17-32(27)34/h1-8,10-11,13-22,24H,9,12,23,25H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339582 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C31H25ClF3N3O/c1-21-6-2-3-7-22(21)16-17-38-19-29(36-37-38)24-12-10-23(11-13-24)27-9-5-4-8-25(27)20-39-30-18-26(31(33,34)35)14-15-28(30)32/h2-15,18-19H,16-17,20H2,1H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339583 (4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]-1-...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O/c1-25-9-2-3-10-26(25)21-22-37-23-33(35-36-37)29-19-17-28(18-20-29)31-14-6-5-12-30(31)24-38-34-16-8-13-27-11-4-7-15-32(27)34/h2-20,23H,21-22,24H2,1H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339576 (4-(5-Benzyl-3-phenylsulfanylmethyl-3H-[1,2,3]triaz...) Show SMILES O=Cc1ccc(cc1)-c1c(Cc2ccccc2)nnn1CSc1ccccc1 Show InChI InChI=1S/C23H19N3OS/c27-16-19-11-13-20(14-12-19)23-22(15-18-7-3-1-4-8-18)24-25-26(23)17-28-21-9-5-2-6-10-21/h1-14,16H,15,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339573 (4'-[1-(2-o-Tolyl-ethyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccc(N)cc1 Show InChI InChI=1S/C23H22N4/c1-17-4-2-3-5-18(17)14-15-27-16-23(25-26-27)21-8-6-19(7-9-21)20-10-12-22(24)13-11-20/h2-13,16H,14-15,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339584 (4-(4'-Phenoxy-biphenyl-4-yl)-1-(3-phenyl-propyl)-1...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H25N3O/c1-3-8-23(9-4-1)10-7-21-32-22-29(30-31-32)26-15-13-24(14-16-26)25-17-19-28(20-18-25)33-27-11-5-2-6-12-27/h1-6,8-9,11-20,22H,7,10,21H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipooxygenase expressed in Escherichia coli MV1190 by cell free assay				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339579 (4-(4-Phenanthren-9-yl-phenyl)-1-(3-phenyl-propyl)-...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C31H25N3/c1-2-9-23(10-3-1)11-8-20-34-22-31(32-33-34)25-18-16-24(17-19-25)30-21-26-12-4-5-13-27(26)28-14-6-7-15-29(28)30/h1-7,9-10,12-19,21-22H,8,11,20H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339580 (4'-[1-(3-Phenyl-propyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C23H21N3O/c27-22-14-12-20(13-15-22)19-8-10-21(11-9-19)23-17-26(25-24-23)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17,27H,4,7,16H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339581 (4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]-1-...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O/c1-2-10-26(11-3-1)12-9-23-37-24-33(35-36-37)29-21-19-28(20-22-29)31-16-6-5-14-30(31)25-38-34-18-8-15-27-13-4-7-17-32(27)34/h1-8,10-11,13-22,24H,9,12,23,25H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339577 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1 Show InChI InChI=1S/C31H25ClF3N3O/c32-28-17-16-26(31(33,34)35)19-30(28)39-21-25-10-4-5-11-27(25)23-12-14-24(15-13-23)29-20-38(37-36-29)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-17,19-20H,6,9,18,21H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339582 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C31H25ClF3N3O/c1-21-6-2-3-7-22(21)16-17-38-19-29(36-37-38)24-12-10-23(11-13-24)27-9-5-4-8-25(27)20-39-30-18-26(31(33,34)35)14-15-28(30)32/h2-15,18-19H,16-17,20H2,1H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339583 (4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]-1-...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O/c1-25-9-2-3-10-26(25)21-22-37-23-33(35-36-37)29-19-17-28(18-20-29)31-14-6-5-12-30(31)24-38-34-16-8-13-27-11-4-7-15-32(27)34/h2-20,23H,21-22,24H2,1H3	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339584 (4-(4'-Phenoxy-biphenyl-4-yl)-1-(3-phenyl-propyl)-1...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H25N3O/c1-3-8-23(9-4-1)10-7-21-32-22-29(30-31-32)26-15-13-24(14-16-26)25-17-19-28(20-18-25)33-27-11-5-2-6-12-27/h1-6,8-9,11-20,22H,7,10,21H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339573 (4'-[1-(2-o-Tolyl-ethyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccc(N)cc1 Show InChI InChI=1S/C23H22N4/c1-17-4-2-3-5-18(17)14-15-27-16-23(25-26-27)21-8-6-19(7-9-21)20-10-12-22(24)13-11-20/h2-13,16H,14-15,24H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339576 (4-(5-Benzyl-3-phenylsulfanylmethyl-3H-[1,2,3]triaz...) Show SMILES O=Cc1ccc(cc1)-c1c(Cc2ccccc2)nnn1CSc1ccccc1 Show InChI InChI=1S/C23H19N3OS/c27-16-19-11-13-20(14-12-19)23-22(15-18-7-3-1-4-8-18)24-25-26(23)17-28-21-9-5-2-6-10-21/h1-14,16H,15,17H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339583 (4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]-1-...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O/c1-25-9-2-3-10-26(25)21-22-37-23-33(35-36-37)29-19-17-28(18-20-29)31-14-6-5-12-30(31)24-38-34-16-8-13-27-11-4-7-15-32(27)34/h2-20,23H,21-22,24H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339574 (5-Dimethylamino-naphthalene-1-sulfonic acid{4'-[1-...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C35H33N5O2S/c1-39(2)34-14-6-13-32-31(34)12-7-15-35(32)43(41,42)37-30-22-20-28(21-23-30)27-16-18-29(19-17-27)33-25-40(38-36-33)24-8-11-26-9-4-3-5-10-26/h3-7,9-10,12-23,25,37H,8,11,24H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50339584 (4-(4'-Phenoxy-biphenyl-4-yl)-1-(3-phenyl-propyl)-1...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C29H25N3O/c1-3-8-23(9-4-1)10-7-21-32-22-29(30-31-32)26-15-13-24(14-16-26)25-17-19-28(20-18-25)33-27-11-5-2-6-12-27/h1-6,8-9,11-20,22H,7,10,21H2	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophils				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339582 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES Cc1ccccc1CCn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C31H25ClF3N3O/c1-21-6-2-3-7-22(21)16-17-38-19-29(36-37-38)24-12-10-23(11-13-24)27-9-5-4-8-25(27)20-39-30-18-26(31(33,34)35)14-15-28(30)32/h2-15,18-19H,16-17,20H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339577 (4-[2'-(2-Chloro-5-trifluoromethyl-phenoxymethyl)-b...) Show SMILES FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(cc2)-c2cn(CCCc3ccccc3)nn2)c1 Show InChI InChI=1S/C31H25ClF3N3O/c32-28-17-16-26(31(33,34)35)19-30(28)39-21-25-10-4-5-11-27(25)23-12-14-24(15-13-23)29-20-38(37-36-29)18-6-9-22-7-2-1-3-8-22/h1-5,7-8,10-17,19-20H,6,9,18,21H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339581 (4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]-1-...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C34H29N3O/c1-2-10-26(11-3-1)12-9-23-37-24-33(35-36-37)29-21-19-28(20-22-29)31-16-6-5-14-30(31)25-38-34-18-8-15-27-13-4-7-17-32(27)34/h1-8,10-11,13-22,24H,9,12,23,25H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339580 (4'-[1-(3-Phenyl-propyl)-1H-[1,2,3]triazol-4-yl]-bi...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CCCc2ccccc2)nn1 Show InChI InChI=1S/C23H21N3O/c27-22-14-12-20(13-15-22)19-8-10-21(11-9-19)23-17-26(25-24-23)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-15,17,27H,4,7,16H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339578 (Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Tria...) Show SMILES O=C(OCc1cn(CSc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C17H15N3O2S/c21-17(14-7-3-1-4-8-14)22-12-15-11-20(19-18-15)13-23-16-9-5-2-6-10-16/h1-11H,12-13H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339579 (4-(4-Phenanthren-9-yl-phenyl)-1-(3-phenyl-propyl)-...) Show SMILES C(Cc1ccccc1)Cn1cc(nn1)-c1ccc(cc1)-c1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C31H25N3/c1-2-9-23(10-3-1)11-8-20-34-22-31(32-33-34)25-18-16-24(17-19-25)30-21-26-12-4-5-13-27(26)28-14-6-7-15-29(28)30/h1-7,9-10,12-19,21-22H,8,11,20H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339570 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1cccc(c1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-6-4-5-18(13-19)16-9-11-17(12-10-16)21-14-24(23-22-21)15-26-20-7-2-1-3-8-20/h1-14,25H,15H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339572 (4'-(1-Phenylsulfanylmethyl-1H-[1,2,3]triazol-4-yl)...) Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1cn(CSc2ccccc2)nn1 Show InChI InChI=1S/C21H17N3OS/c25-19-12-10-17(11-13-19)16-6-8-18(9-7-16)21-14-24(23-22-21)15-26-20-4-2-1-3-5-20/h1-14,25H,15H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair
Prostaglandin E synthase 2 (Homo sapiens (Human))	BDBM50339571 (4-{4-[2'-(Naphthalen-1-yloxymethyl)-biphenyl-4-yl]...) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cccc2ccccc12 Show InChI InChI=1S/C32H23N3O5S/c36-32(37)25-16-18-27(19-17-25)41(38,39)35-20-30(33-34-35)24-14-12-23(13-15-24)28-9-3-2-7-26(28)21-40-31-11-5-8-22-6-1-4-10-29(22)31/h1-20H,21H2,(H,36,37)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of Prostaglandin E2 synthase-1 in IL-1beta stimulated microsomal fraction of human A549 cell assessed as PGE2 level by RP-HPLC				J Med Chem 54: 1565-75 (2011) Article DOI: 10.1021/jm101238d BindingDB Entry DOI: 10.7270/Q2SN098M
					More data for this Ligand-Target Pair