Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'shang' and Initial = 'e'   

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
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50227631 (2-(6-chloro-1H-phenanthro[9,10-d]imidazol-2-yl)iso...) Show SMILES Clc1ccc2c3[nH]c(nc3c3ccccc3c2c1)-c1c(cccc1C#N)C#N Show InChI InChI=1S/C23H11ClN4/c24-15-8-9-18-19(10-15)16-6-1-2-7-17(16)21-22(18)28-23(27-21)20-13(11-25)4-3-5-14(20)12-26/h1-10H,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004424 (CHEMBL3238463) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C17H11N3O5/c21-17(12-8-13(19(22)23)10-14(9-12)20(24)25)18-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H,(H,18,21)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004425 (CHEMBL3238207) Show SMILES Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H10N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004426 (CHEMBL3238465) Show SMILES Cc1cccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H11N3O5/c1-9-3-2-4-11(5-9)15-14(18)10-6-12(16(19)20)8-13(7-10)17(21)22/h2-8H,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004427 (CHEMBL3238471) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H13N3O5/c23-19(15-10-17(21(24)25)12-18(11-15)22(26)27)20-16-8-4-7-14(9-16)13-5-2-1-3-6-13/h1-12H,(H,20,23)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004428 (CHEMBL3238466) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H8ClN3O5/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16(19)20)7-12(5-8)17(21)22/h1-7H,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004429 (CHEMBL3238468) Show SMILES COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H11N3O6/c1-23-13-4-2-10(3-5-13)15-14(18)9-6-11(16(19)20)8-12(7-9)17(21)22/h2-8H,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017559 (CHEMBL3288316) Show SMILES CC(C)(C)c1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:10| Show InChI InChI=1S/C17H17N3O4S/c1-17(2,3)11-5-4-6-12(9-11)18-16-14-8-7-13(20(21)22)10-15(14)25(23,24)19-16/h4-10H,1-3H3,(H,18,19)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017562 (CHEMBL3288319) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc4ncccc34)=NS(=O)(=O)c2c1 |c:20| Show InChI InChI=1S/C16H10N4O4S/c21-20(22)10-6-7-12-15(9-10)25(23,24)19-16(12)18-14-5-1-4-13-11(14)3-2-8-17-13/h1-9H,(H,18,19)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017560 (CHEMBL3288317) Show SMILES COc1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:8| Show InChI InChI=1S/C14H11N3O5S/c1-22-11-4-2-3-9(7-11)15-14-12-6-5-10(17(18)19)8-13(12)23(20,21)16-14/h2-8H,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017558 (CHEMBL3288315) Show SMILES CC(C)c1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:9| Show InChI InChI=1S/C16H15N3O4S/c1-10(2)11-4-3-5-12(8-11)17-16-14-7-6-13(19(20)21)9-15(14)24(22,23)18-16/h3-10H,1-2H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004425 (CHEMBL3238207) Show SMILES Cc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H10N2O6/c1-9-3-2-4-13(5-9)22-14(17)10-6-11(15(18)19)8-12(7-10)16(20)21/h2-8H,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	500	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017556 (CHEMBL3288313) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc4ccccc34)=NS(=O)(=O)c2c1 |c:20| Show InChI InChI=1S/C17H11N3O4S/c21-20(22)12-8-9-14-16(10-12)25(23,24)19-17(14)18-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017561 (CHEMBL3288318) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc(c3)-c3ccccc3)=NS(=O)(=O)c2c1 |c:22| Show InChI InChI=1S/C19H13N3O4S/c23-22(24)16-9-10-17-18(12-16)27(25,26)21-19(17)20-15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50394748 (CHEMBL2163347) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004430 (CHEMBL3238469) Show SMILES COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C15H13N3O7/c1-24-13-4-3-10(7-14(13)25-2)16-15(19)9-5-11(17(20)21)8-12(6-9)18(22)23/h3-8H,1-2H3,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004431 (CHEMBL3238208) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccccc1 Show InChI InChI=1S/C13H8N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004432 (CHEMBL3238464) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C13H9N3O5/c17-13(14-10-4-2-1-3-5-10)9-6-11(15(18)19)8-12(7-9)16(20)21/h1-8H,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017556 (CHEMBL3288313) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc4ccccc34)=NS(=O)(=O)c2c1 |c:20| Show InChI InChI=1S/C17H11N3O4S/c21-20(22)12-8-9-14-16(10-12)25(23,24)19-17(14)18-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004429 (CHEMBL3238468) Show SMILES COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H11N3O6/c1-23-13-4-2-10(3-5-13)15-14(18)9-6-11(16(19)20)8-12(7-9)17(21)22/h2-8H,1H3,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017552 (CHEMBL3288309) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc(Br)c3)=NS(=O)(=O)c2c1 |c:16| Show InChI InChI=1S/C13H8BrN3O4S/c14-8-2-1-3-9(6-8)15-13-11-5-4-10(17(18)19)7-12(11)22(20,21)16-13/h1-7H,(H,15,16)	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					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	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017531 (CHEMBL3288308) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc(Cl)c3)=NS(=O)(=O)c2c1 |c:16| Show InChI InChI=1S/C13H8ClN3O4S/c14-8-2-1-3-9(6-8)15-13-11-5-4-10(17(18)19)7-12(11)22(20,21)16-13/h1-7H,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004450 (CHEMBL3238209) Show SMILES CCCc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H14N2O6/c1-2-4-11-5-3-6-15(7-11)24-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h3,5-10H,2,4H2,1H3	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	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004451 (CHEMBL3238213) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C17H11NO4/c19-17(13-7-3-8-14(11-13)18(20)21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017552 (CHEMBL3288309) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc(Br)c3)=NS(=O)(=O)c2c1 |c:16| Show InChI InChI=1S/C13H8BrN3O4S/c14-8-2-1-3-9(6-8)15-13-11-5-4-10(17(18)19)7-12(11)22(20,21)16-13/h1-7H,(H,15,16)	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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004450 (CHEMBL3238209) Show SMILES CCCc1cccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H14N2O6/c1-2-4-11-5-3-6-15(7-11)24-16(19)12-8-13(17(20)21)10-14(9-12)18(22)23/h3,5-10H,2,4H2,1H3	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	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50394748 (CHEMBL2163347) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C17H10N2O6/c20-17(12-8-13(18(21)22)10-14(9-12)19(23)24)25-16-7-3-5-11-4-1-2-6-15(11)16/h1-10H	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	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017516 (CHEMBL3288307) Show SMILES [O-][N+](=O)c1ccc2C(Nc3ccccc3)=NS(=O)(=O)c2c1 |c:15| Show InChI InChI=1S/C13H9N3O4S/c17-16(18)10-6-7-11-12(8-10)21(19,20)15-13(11)14-9-4-2-1-3-5-9/h1-8H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004452 (CHEMBL3238211) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H12N2O6/c22-19(15-9-16(20(23)24)12-17(10-15)21(25)26)27-18-8-4-7-14(11-18)13-5-2-1-3-6-13/h1-12H	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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition by H2DCFDA staining-based fluor...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017560 (CHEMBL3288317) Show SMILES COc1cccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)c1 |t:8| Show InChI InChI=1S/C14H11N3O5S/c1-22-11-4-2-3-9(7-11)15-14-12-6-5-10(17(18)19)8-13(12)23(20,21)16-14/h2-8H,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017553 (CHEMBL3288310) Show SMILES COc1ccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |t:7| Show InChI InChI=1S/C14H11N3O5S/c1-22-11-5-2-9(3-6-11)15-14-12-7-4-10(17(18)19)8-13(12)23(20,21)16-14/h2-8H,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004453 (CHEMBL3238470) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)NCc1cccc(Br)c1 Show InChI InChI=1S/C14H10BrN3O5/c15-11-3-1-2-9(4-11)8-16-14(19)10-5-12(17(20)21)7-13(6-10)18(22)23/h1-7H,8H2,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017564 (CHEMBL3288321) Show SMILES [O-][N+](=O)c1ccc2C(Nc3cccc4OCOc34)=NS(=O)(=O)c2c1 |c:19| Show InChI InChI=1S/C14H9N3O6S/c18-17(19)8-4-5-9-12(6-8)24(20,21)16-14(9)15-10-2-1-3-11-13(10)23-7-22-11/h1-6H,7H2,(H,15,16)	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	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004432 (CHEMBL3238464) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccccc1 Show InChI InChI=1S/C13H9N3O5/c17-13(14-10-4-2-1-3-5-10)9-6-11(15(18)19)8-12(7-9)16(20)21/h1-8H,(H,14,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004431 (CHEMBL3238208) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccccc1 Show InChI InChI=1S/C13H8N2O6/c16-13(21-12-4-2-1-3-5-12)9-6-10(14(17)18)8-11(7-9)15(19)20/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017553 (CHEMBL3288310) Show SMILES COc1ccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)cc1 |t:7| Show InChI InChI=1S/C14H11N3O5S/c1-22-11-5-2-9(3-6-11)15-14-12-7-4-10(17(18)19)8-13(12)23(20,21)16-14/h2-8H,1H3,(H,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50180652 (CHEMBL3819527) Show SMILES CN1CCN(CC(=O)N2N=C3C(CCC\C3=C/c3ccccc3)C2c2ccccc2)CC1 |c:9| Show InChI InChI=1S/C27H32N4O/c1-29-15-17-30(18-16-29)20-25(32)31-27(22-11-6-3-7-12-22)24-14-8-13-23(26(24)28-31)19-21-9-4-2-5-10-21/h2-7,9-12,19,24,27H,8,13-18,20H2,1H3/b23-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Diego Curated by ChEMBL					Assay Description Inhibition of mPGES-1 (unknown origin) assessed as reduction in conversion of PGH2 to PGE2 by EIA method				J Med Chem 59: 4202-9 (2016) Article DOI: 10.1021/acs.jmedchem.5b01011 BindingDB Entry DOI: 10.7270/Q2BK1F9C
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50017554 (CHEMBL3288311) Show SMILES COc1ccc(NC2=NS(=O)(=O)c3cc(ccc23)[N+]([O-])=O)cc1OC |t:7| Show InChI InChI=1S/C15H13N3O6S/c1-23-12-6-3-9(7-13(12)24-2)16-15-11-5-4-10(18(19)20)8-14(11)25(21,22)17-15/h3-8H,1-2H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX using arachidonic acid as substrate measured as H2DCFDA conversion to 2',7'-dichlorofluorescein preincubated for 10 mins by...				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50017516 (CHEMBL3288307) Show SMILES [O-][N+](=O)c1ccc2C(Nc3ccccc3)=NS(=O)(=O)c2c1 |c:15| Show InChI InChI=1S/C13H9N3O4S/c17-16(18)10-6-7-11-12(8-10)21(19,20)15-13(11)14-9-4-2-1-3-5-9/h1-8H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of microsomal PGES-1 (unknown origin) assessed as PGH2 conversion to PGE2 after 1 min by enzyme immunoassay				Bioorg Med Chem Lett 24: 2764-7 (2014) Article DOI: 10.1016/j.bmcl.2014.04.006 BindingDB Entry DOI: 10.7270/Q2FJ2JB1
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004451 (CHEMBL3238213) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C17H11NO4/c19-17(13-7-3-8-14(11-13)18(20)21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.46E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004452 (CHEMBL3238211) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H12N2O6/c22-19(15-9-16(20(23)24)12-17(10-15)21(25)26)27-18-8-4-7-14(11-18)13-5-2-1-3-6-13/h1-12H	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	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004428 (CHEMBL3238466) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(Cl)c1 Show InChI InChI=1S/C13H8ClN3O5/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16(19)20)7-12(5-8)17(21)22/h1-7H,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004448 (CHEMBL3238467) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(Br)c1 Show InChI InChI=1S/C13H8BrN3O5/c14-9-2-1-3-10(6-9)15-13(18)8-4-11(16(19)20)7-12(5-8)17(21)22/h1-7H,(H,15,18)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004430 (CHEMBL3238469) Show SMILES COc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)cc1OC Show InChI InChI=1S/C15H13N3O7/c1-24-13-4-3-10(7-14(13)25-2)16-15(19)9-5-11(17(20)21)8-12(6-9)18(22)23/h3-8H,1-2H3,(H,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004427 (CHEMBL3238471) Show SMILES [O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H13N3O5/c23-19(15-10-17(21(24)25)12-18(11-15)22(26)27)20-16-8-4-7-14(9-16)13-5-2-1-3-6-13/h1-12H,(H,20,23)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004449 (CHEMBL3238472) Show SMILES OC(=O)c1cccc(c1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C15H12O4/c16-14(17)12-7-4-8-13(9-12)15(18)19-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50004443 (CHEMBL3238473) Show SMILES OC(=O)c1cccc(c1)C(=O)Oc1cccc2ccccc12 Show InChI InChI=1S/C18H12O4/c19-17(20)13-7-3-8-14(11-13)18(21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,19,20)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of 5-LOX in human whole blood assessed as inhibition of A23187-induced LTB4 production preincubated for 15 mins followed by A23187 inducti...				Bioorg Med Chem 22: 2396-402 (2014) Article DOI: 10.1016/j.bmc.2014.03.008 BindingDB Entry DOI: 10.7270/Q2X63PF9
					More data for this Ligand-Target Pair

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