Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'de simone' and Initial = 'r'   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386165 (CHEMBL2042365) Show SMILES Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H22ClF3N4O3/c31-25-12-11-23(30(32,33)34)14-28(25)41-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)27-16-38(37-36-27)15-21-10-9-20(29(39)40)13-26(21)35/h1-14,16H,15,17,35H2,(H,39,40)	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	680	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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))	BDBM50386165 (CHEMBL2042365) Show SMILES Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H22ClF3N4O3/c31-25-12-11-23(30(32,33)34)14-28(25)41-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)27-16-38(37-36-27)15-21-10-9-20(29(39)40)13-26(21)35/h1-14,16H,15,17,35H2,(H,39,40)	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 human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50390010 (CHEMBL2071516) Show SMILES OC1OC(=O)C(Br)=C1c1ccc(cc1)C(=O)Nc1ccccc1 |c:6| Show InChI InChI=1S/C17H12BrNO4/c18-14-13(16(21)23-17(14)22)10-6-8-11(9-7-10)15(20)19-12-4-2-1-3-5-12/h1-9,16,21H,(H,19,20)	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	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in IL-1beta-stimulated human A549 cells preincubated for 10 mins measured after 1 min by RP-HPLC analys...				Bioorg Med Chem 20: 5012-6 (2012) Article DOI: 10.1016/j.bmc.2012.06.032 BindingDB Entry DOI: 10.7270/Q2GF0VKD
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386164 (CHEMBL2042366) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C30H21ClF3N3O3/c31-26-14-13-24(30(32,33)34)15-28(26)40-18-23-3-1-2-4-25(23)20-9-11-21(12-10-20)27-17-37(36-35-27)16-19-5-7-22(8-6-19)29(38)39/h1-15,17H,16,18H2,(H,38,39)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386154 (CHEMBL2042361) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(H,39,40)	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386163 (CHEMBL2042367) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C29H19ClF3N3O5S/c30-25-14-11-22(29(31,32)33)15-27(25)41-17-21-3-1-2-4-24(21)18-5-7-19(8-6-18)26-16-36(35-34-26)42(39,40)23-12-9-20(10-13-23)28(37)38/h1-16H,17H2,(H,37,38)	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	1.20E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386164 (CHEMBL2042366) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C30H21ClF3N3O3/c31-26-14-13-24(30(32,33)34)15-28(26)40-18-23-3-1-2-4-25(23)20-9-11-21(12-10-20)27-17-37(36-35-27)16-19-5-7-22(8-6-19)29(38)39/h1-15,17H,16,18H2,(H,38,39)	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	1.47E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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))	BDBM50386163 (CHEMBL2042367) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C29H19ClF3N3O5S/c30-25-14-11-22(29(31,32)33)15-27(25)41-17-21-3-1-2-4-24(21)18-5-7-19(8-6-18)26-16-36(35-34-26)42(39,40)23-12-9-20(10-13-23)28(37)38/h1-16H,17H2,(H,37,38)	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	1.96E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386164 (CHEMBL2042366) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)cc1 Show InChI InChI=1S/C30H21ClF3N3O3/c31-26-14-13-24(30(32,33)34)15-28(26)40-18-23-3-1-2-4-25(23)20-9-11-21(12-10-20)27-17-37(36-35-27)16-19-5-7-22(8-6-19)29(38)39/h1-15,17H,16,18H2,(H,38,39)	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	2.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386154 (CHEMBL2042361) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(H,39,40)	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	2.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386165 (CHEMBL2042365) Show SMILES Nc1cc(ccc1Cn1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F)C(O)=O Show InChI InChI=1S/C30H22ClF3N4O3/c31-25-12-11-23(30(32,33)34)14-28(25)41-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)27-16-38(37-36-27)15-21-10-9-20(29(39)40)13-26(21)35/h1-14,16H,15,17,35H2,(H,39,40)	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	2.10E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,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	>5.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,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	>5.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386154 (CHEMBL2042361) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2COc2cc(ccc2Cl)C(F)(F)F)c(c1)[N+]([O-])=O Show InChI InChI=1S/C30H20ClF3N4O5/c31-25-12-11-23(30(32,33)34)14-28(25)43-17-22-3-1-2-4-24(22)18-5-7-19(8-6-18)26-16-37(36-35-26)15-21-10-9-20(29(39)40)13-27(21)38(41)42/h1-14,16H,15,17H2,(H,39,40)	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	5.30E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386153 (CHEMBL2042362) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4S/c25-20(26)15-7-8-16(18(10-15)24(27)28)11-23-12-17(21-22-23)13-3-5-14(6-4-13)19-2-1-9-29-19/h1-10,12H,11H2,(H,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	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50390011 (CHEMBL2071517) Show SMILES OC1OC(=O)C(Br)=C1c1ccc(cc1)C(=O)NCc1ccccc1 |c:6| Show InChI InChI=1S/C18H14BrNO4/c19-15-14(17(22)24-18(15)23)12-6-8-13(9-7-12)16(21)20-10-11-4-2-1-3-5-11/h1-9,17,22H,10H2,(H,20,21)	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES-1-mediated PGE2 formation in IL-1beta-stimulated human A549 cells preincubated for 10 mins measured after 1 min by RP-HPLC analys...				Bioorg Med Chem 20: 5012-6 (2012) Article DOI: 10.1016/j.bmc.2012.06.032 BindingDB Entry DOI: 10.7270/Q2GF0VKD
					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))	BDBM50386159 (CHEMBL2042356) Show SMILES CN(C)c1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C34H28N6O6S/c1-38(2)30-15-11-26-18-31(16-12-25(26)17-30)47(45,46)36-29-13-9-23(10-14-29)22-3-5-24(6-4-22)32-21-39(37-35-32)20-28-8-7-27(34(41)42)19-33(28)40(43)44/h3-19,21,36H,20H2,1-2H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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))	BDBM50386162 (CHEMBL2042363) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccc(O)cc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O5/c27-19-9-7-15(8-10-19)14-1-3-16(4-2-14)20-13-25(24-23-20)12-18-6-5-17(22(28)29)11-21(18)26(30)31/h1-11,13,27H,12H2,(H,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	6.80E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50386163 (CHEMBL2042367) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)n1cc(nn1)-c1ccc(cc1)-c1ccccc1COc1cc(ccc1Cl)C(F)(F)F Show InChI InChI=1S/C29H19ClF3N3O5S/c30-25-14-11-22(29(31,32)33)15-27(25)41-17-21-3-1-2-4-24(21)18-5-7-19(8-6-18)26-16-36(35-34-26)42(39,40)23-12-9-20(10-13-23)28(37)38/h1-16H,17H2,(H,37,38)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta-stimulated human A549 cell assessed as inhibition of PGE2 production preincubated for 15 mins before substrate addit...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386161 (CHEMBL2042354) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H23N5O6/c33-26(30-10-12-38-13-11-30)21-3-1-2-20(14-21)18-4-6-19(7-5-18)24-17-31(29-28-24)16-23-9-8-22(27(34)35)15-25(23)32(36)37/h1-9,14-15,17H,10-13,16H2,(H,34,35)	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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386160 (CHEMBL2042355) Show SMILES Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C22H17N5O4/c23-19-9-7-15(8-10-19)14-1-3-16(4-2-14)20-13-26(25-24-20)12-18-6-5-17(22(28)29)11-21(18)27(30)31/h1-11,13H,12,23H2,(H,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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386158 (CHEMBL2042357) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H16N4O6/c28-22(29)16-9-10-17(21(11-16)27(32)33)12-26-13-20(24-25-26)15-7-5-14(6-8-15)18-3-1-2-4-19(18)23(30)31/h1-11,13H,12H2,(H,28,29)(H,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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386157 (CHEMBL2042358) Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-3-1-2-16(10-17)14-4-6-15(7-5-14)20-13-26(25-24-20)12-19-9-8-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386156 (CHEMBL2042359) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(O)c2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O5/c27-19-3-1-2-16(10-19)14-4-6-15(7-5-14)20-13-25(24-23-20)12-18-9-8-17(22(28)29)11-21(18)26(30)31/h1-11,13,27H,12H2,(H,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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386155 (CHEMBL2042360) Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C25H22N4O7/c1-34-22-11-19(12-23(35-2)24(22)36-3)15-4-6-16(7-5-15)20-14-28(27-26-20)13-18-9-8-17(25(30)31)10-21(18)29(32)33/h4-12,14H,13H2,1-3H3,(H,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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386153 (CHEMBL2042362) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4S/c25-20(26)15-7-8-16(18(10-15)24(27)28)11-23-12-17(21-22-23)13-3-5-14(6-4-13)19-2-1-9-29-19/h1-10,12H,11H2,(H,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	>1.00E+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-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386161 (CHEMBL2042354) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(c2)C(=O)N2CCOCC2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C27H23N5O6/c33-26(30-10-12-38-13-11-30)21-3-1-2-20(14-21)18-4-6-19(7-5-18)24-17-31(29-28-24)16-23-9-8-22(27(34)35)15-25(23)32(36)37/h1-9,14-15,17H,10-13,16H2,(H,34,35)	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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386160 (CHEMBL2042355) Show SMILES Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C22H17N5O4/c23-19-9-7-15(8-10-19)14-1-3-16(4-2-14)20-13-26(25-24-20)12-18-6-5-17(22(28)29)11-21(18)27(30)31/h1-11,13H,12,23H2,(H,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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386159 (CHEMBL2042356) Show SMILES CN(C)c1ccc2cc(ccc2c1)S(=O)(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C34H28N6O6S/c1-38(2)30-15-11-26-18-31(16-12-25(26)17-30)47(45,46)36-29-13-9-23(10-14-29)22-3-5-24(6-4-22)32-21-39(37-35-32)20-28-8-7-27(34(41)42)19-33(28)40(43)44/h3-19,21,36H,20H2,1-2H3,(H,41,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386158 (CHEMBL2042357) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2ccccc2C(O)=O)c(c1)[N+]([O-])=O Show InChI InChI=1S/C23H16N4O6/c28-22(29)16-9-10-17(21(11-16)27(32)33)12-26-13-20(24-25-26)15-7-5-14(6-8-15)18-3-1-2-4-19(18)23(30)31/h1-11,13H,12H2,(H,28,29)(H,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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386157 (CHEMBL2042358) Show SMILES OC(=O)c1cccc(c1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-3-1-2-16(10-17)14-4-6-15(7-5-14)20-13-26(25-24-20)12-19-9-8-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386156 (CHEMBL2042359) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccc(O)c2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C22H16N4O5/c27-19-3-1-2-16(10-19)14-4-6-15(7-5-14)20-13-25(24-23-20)12-18-9-8-17(22(28)29)11-21(18)26(30)31/h1-11,13,27H,12H2,(H,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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386155 (CHEMBL2042360) Show SMILES COc1cc(cc(OC)c1OC)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C25H22N4O7/c1-34-22-11-19(12-23(35-2)24(22)36-3)15-4-6-16(7-5-15)20-14-28(27-26-20)13-18-9-8-17(25(30)31)10-21(18)29(32)33/h4-12,14H,13H2,1-3H3,(H,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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386153 (CHEMBL2042362) Show SMILES OC(=O)c1ccc(Cn2cc(nn2)-c2ccc(cc2)-c2cccs2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4S/c25-20(26)15-7-8-16(18(10-15)24(27)28)11-23-12-17(21-22-23)13-3-5-14(6-4-13)19-2-1-9-29-19/h1-10,12H,11H2,(H,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	>1.00E+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 neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair

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