Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 2583   

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))	BDBM22334 (BW A4C | BW4C | BWA4C | BWA4C, 10 | CHEMBL314360 |...) Show SMILES CC(=O)N(O)C\C=C\c1cccc(Oc2ccccc2)c1 Show InChI InChI=1S/C17H17NO3/c1-14(19)18(20)12-6-8-15-7-5-11-17(13-15)21-16-9-3-2-4-10-16/h2-11,13,20H,12H2,1H3/b8-6+	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	150	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22332 (2-amino-5-hydroxyindole, 3n | ethyl 2-[(3-chloroph...) Show SMILES CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C17H15ClN2O3/c1-2-23-17(22)15-13-9-12(21)6-7-14(13)20-16(15)19-11-5-3-4-10(18)8-11/h3-9,19-21H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22322 (2-piperazinyl-5-hydroxyindole, 3h | ethyl 2-[4-(4-...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22324 (2-amino-5-hydroxyindole, 3j | ethyl 5-hydroxy-2-(p...) Show SMILES CCOC(=O)c1c(Nc2ccccc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C17H16N2O3/c1-2-22-17(21)15-13-10-12(20)8-9-14(13)19-16(15)18-11-6-4-3-5-7-11/h3-10,18-20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22326 (2-amino-5-hydroxyindole, 3l | ethyl 5-hydroxy-2-[(...) Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C19H20N2O3/c1-3-24-19(23)17-15-11-14(22)9-10-16(15)21-18(17)20-12(2)13-7-5-4-6-8-13/h4-12,20-22H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22318 (2-piperazinyl-5-hydroxyindole, 3f | ethyl 5-hydrox...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C21H23N3O3/c1-2-27-21(26)19-17-14-16(25)8-9-18(17)22-20(19)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h3-9,14,22,25H,2,10-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22325 (2-amino-5-hydroxyindole, 3k | ethyl 5-hydroxy-2-[(...) Show SMILES CCOC(=O)c1c(Nc2ccc(C)cc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H18N2O3/c1-3-23-18(22)16-14-10-13(21)8-9-15(14)20-17(16)19-12-6-4-11(2)5-7-12/h4-10,19-21H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22331 (2-amino-5-hydroxyindole, 3m | ethyl 2-[bis(prop-2-...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N(CC=C)CC=C Show InChI InChI=1S/C17H20N2O3/c1-4-9-19(10-5-2)16-15(17(21)22-6-3)13-11-12(20)7-8-14(13)18-16/h4-5,7-8,11,18,20H,1-2,6,9-10H2,3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22329 (2-aminoindole, 9b | ethyl 2-[(1-phenylethyl)amino]...) Show SMILES CCOC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12 Show InChI InChI=1S/C19H20N2O2/c1-3-23-19(22)17-15-11-7-8-12-16(15)21-18(17)20-13(2)14-9-5-4-6-10-14/h4-13,20-21H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22330 (2-amino-5-hydroxyindole, 11 | 5-hydroxy-2-[(1-phen...) Show SMILES CC(Nc1[nH]c2ccc(O)cc2c1C#N)c1ccccc1 Show InChI InChI=1S/C17H15N3O/c1-11(12-5-3-2-4-6-12)19-17-15(10-18)14-9-13(21)7-8-16(14)20-17/h2-9,11,19-21H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22333 (2-amino-5-hydroxyindole, 3o | ethyl 5-hydroxy-2-(p...) Show SMILES CCOC(=O)c1c(Nc2cccnc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C16H15N3O3/c1-2-22-16(21)14-12-8-11(20)5-6-13(12)19-15(14)18-10-4-3-7-17-9-10/h3-9,18-20H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22328 (2-amino-5-hydroxyindole, 14 | methyl 5-hydroxy-2-[...) Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccc(O)cc12 Show InChI InChI=1S/C18H18N2O3/c1-11(12-6-4-3-5-7-12)19-17-16(18(22)23-2)14-10-13(21)8-9-15(14)20-17/h3-11,19-21H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22327 (2-aminoindole, 9a | methyl 2-[(1-phenylethyl)amino...) Show SMILES COC(=O)c1c(NC(C)c2ccccc2)[nH]c2ccccc12 Show InChI InChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)19-17-16(18(21)22-2)14-10-6-7-11-15(14)20-17/h3-12,19-20H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22323 (2-piperazinyl-5-hydroxyindole, 3i | ethyl 2-(4-ben...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H25N3O3/c1-2-28-22(27)20-18-14-17(26)8-9-19(18)23-21(20)25-12-10-24(11-13-25)15-16-6-4-3-5-7-16/h3-9,14,23,26H,2,10-13,15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22321 (2-piperazinyl-5-hydroxyindole, 3g | ethyl 2-[4-(4-...) Show SMILES CCOC(=O)c1c([nH]c2ccc(O)cc12)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H22FN3O3/c1-2-28-21(27)19-17-13-16(26)7-8-18(17)23-20(19)25-11-9-24(10-12-25)15-5-3-14(22)4-6-15/h3-8,13,23,26H,2,9-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM22320 (2-piperazinyl-5-methoxyindole, 7f | ethyl 5-methox...) Show SMILES CCOC(=O)c1c(N2CCN(CC2)c2ccccc2)n(C)c2ccc(OC)cc12 Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)21-19-16-18(28-3)10-11-20(19)24(2)22(21)26-14-12-25(13-15-26)17-8-6-5-7-9-17/h5-11,16H,4,12-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	n/a	n/a	n/a	7.4	37
Friedrich Alexander University Erlangen					Assay Description Purified 5-LO was added to reaction mix containing the test compounds. For efficient inhibition of 5-LO, low hydroperoxide levels are important. Glut...				J Med Chem 49: 4327-32 (2006) Article DOI: 10.1021/jm050801i BindingDB Entry DOI: 10.7270/Q2PC30PQ
					More data for this Ligand-Target Pair