Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50032443   

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))	BDBM50329328 (4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C23H15FN2O3S/c24-20-11-9-17(10-12-20)22(27)28-13-3-4-14-30-23-26-25-21(29-23)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15H,13-14H2	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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329320 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cccs1 Show InChI InChI=1S/C21H14N2O3S2/c24-20(18-11-6-14-27-18)25-12-3-4-13-28-21-23-22-19(26-21)17-10-5-8-15-7-1-2-9-16(15)17/h1-2,5-11,14H,12-13H2	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	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329321 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccsc1 Show InChI InChI=1S/C21H14N2O3S2/c24-20(16-10-13-27-14-16)25-11-3-4-12-28-21-23-22-19(26-21)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-10,13-14H,11-12H2	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	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329326 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12 Show InChI InChI=1S/C24H15F3N2O4S/c25-24(26,27)33-18-12-10-17(11-13-18)22(30)31-14-3-4-15-34-23-29-28-21(32-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2	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	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329323 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C23H16N2O3S/c26-22(18-10-2-1-3-11-18)27-15-6-7-16-29-23-25-24-21(28-23)20-14-8-12-17-9-4-5-13-19(17)20/h1-5,8-14H,15-16H2	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329327 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES FC(F)(F)c1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12 Show InChI InChI=1S/C24H15F3N2O3S/c25-24(26,27)18-12-10-17(11-13-18)22(30)31-14-3-4-15-33-23-29-28-21(32-23)20-9-5-7-16-6-1-2-8-19(16)20/h1-2,5-13H,14-15H2	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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329325 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES Fc1ccc(cc1F)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12 Show InChI InChI=1S/C23H14F2N2O3S/c24-19-11-10-16(14-20(19)25)22(28)29-12-3-4-13-31-23-27-26-21(30-23)18-9-5-7-15-6-1-2-8-17(15)18/h1-2,5-11,14H,12-13H2	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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329324 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES Fc1cccc(c1)C(=O)OCC#CCSc1nnc(o1)-c1cccc2ccccc12 Show InChI InChI=1S/C23H15FN2O3S/c24-18-10-5-9-17(15-18)22(27)28-13-3-4-14-30-23-26-25-21(29-23)20-12-6-8-16-7-1-2-11-19(16)20/h1-2,5-12,15H,13-14H2	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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329322 (4-(5-(Naphthalen-1-yl)-1,3,4-oxadiazol-2-ylthio)bu...) Show SMILES O=C(OCC#CCSc1nnc(o1)-c1cccc2ccccc12)c1cc2ccccc2s1 Show InChI InChI=1S/C25H16N2O3S2/c28-24(22-16-18-9-2-4-13-21(18)32-22)29-14-5-6-15-31-25-27-26-23(30-25)20-12-7-10-17-8-1-3-11-19(17)20/h1-4,7-13,16H,14-15H2	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	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50329329 (4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-ylthio)but...) Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H12ClFN2O3S/c20-15-7-3-13(4-8-15)17-22-23-19(26-17)27-12-2-1-11-25-18(24)14-5-9-16(21)10-6-14/h3-10H,11-12H2	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	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis				J Med Chem 53: 7392-404 (2010) Article DOI: 10.1021/jm1008852 BindingDB Entry DOI: 10.7270/Q2SJ1KVW
					More data for this Ligand-Target Pair