Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50044687   

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
Lipoxygenase (Glycine max)	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025855 (CHEMBL3330910) Show SMILES COc1cc(NC(C)CCCNC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 Show InChI InChI=1S/C29H31ClN4O2/c1-20(33-26-19-25(36-2)18-23-11-7-16-31-28(23)26)8-6-17-32-29(35)34-27(21-9-4-3-5-10-21)22-12-14-24(30)15-13-22/h3-5,7,9-16,18-20,27,33H,6,8,17H2,1-2H3,(H2,32,34,35)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025867 (CHEMBL3330912) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#7]\[#7]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-c1cc(-[#8]-[#6])cc2cccnc12)\c1ccc(-[#8]-[#6])cc1 Show InChI InChI=1S/C31H35N5O4/c1-21(34-28-20-27(40-4)19-24-8-6-17-32-30(24)28)7-5-18-33-31(37)36-35-29(22-9-13-25(38-2)14-10-22)23-11-15-26(39-3)16-12-23/h6,8-17,19-21,34H,5,7,18H2,1-4H3,(H2,33,36,37)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025851 (CHEMBL3329237) Show SMILES COc1ccc(cc1)C(=N\NC(=O)NNC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)\c1ccccc1 Show InChI InChI=1S/C31H35N7O4/c1-21(34-27-20-26(42-3)19-24-12-8-17-32-29(24)27)9-7-18-33-30(39)36-38-31(40)37-35-28(22-10-5-4-6-11-22)23-13-15-25(41-2)16-14-23/h4-6,8,10-17,19-21,34H,7,9,18H2,1-3H3,(H2,33,36,39)(H2,37,38,40)/b35-28+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025864 (CHEMBL3330911) Show SMILES COc1ccc(cc1)C(=N\NC(=O)NCCCC(C)Nc1cc(OC)cc2cccnc12)\c1ccccc1 Show InChI InChI=1S/C30H33N5O3/c1-21(33-27-20-26(38-3)19-24-12-8-17-31-29(24)27)9-7-18-32-30(36)35-34-28(22-10-5-4-6-11-22)23-13-15-25(37-2)16-14-23/h4-6,8,10-17,19-21,33H,7,9,18H2,1-3H3,(H2,32,35,36)/b34-28+	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025850 (CHEMBL3330899) Show SMILES COc1cc(NC(C)CCCNC(=O)NNC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 Show InChI InChI=1S/C30H33ClN6O3/c1-20(34-26-19-25(40-2)18-23-11-7-16-32-28(23)26)8-6-17-33-29(38)36-37-30(39)35-27(21-9-4-3-5-10-21)22-12-14-24(31)15-13-22/h3-5,7,9-16,18-20,27,34H,6,8,17H2,1-2H3,(H2,33,36,38)(H2,35,37,39)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025853 (CHEMBL3330900) Show SMILES [#6]-[#8]-c1ccc(cc1)-[#6](=[#7]\[#7]-[#6](=O)-[#7]-[#7]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-c1cc(-[#8]-[#6])cc2cccnc12)\c1ccc(-[#8]-[#6])cc1 Show InChI InChI=1S/C32H37N7O5/c1-21(35-28-20-27(44-4)19-24-8-6-17-33-30(24)28)7-5-18-34-31(40)37-39-32(41)38-36-29(22-9-13-25(42-2)14-10-22)23-11-15-26(43-3)16-12-23/h6,8-17,19-21,35H,5,7,18H2,1-4H3,(H2,34,37,40)(H2,38,39,41)	UniProtKB/TrEMBL 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
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025848 (CHEMBL3330891) Show SMILES CN(C(c1ccccc1)c1ccccc1)C(=O)n1nnc2ccccc12 Show InChI InChI=1S/C21H18N4O/c1-24(21(26)25-19-15-9-8-14-18(19)22-23-25)20(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15,20H,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025869 (CHEMBL3330913) Show SMILES COc1cc(NC(C)CCCNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 Show InChI InChI=1S/C37H41N5O2/c1-28(42-34-27-33(44-2)26-29-15-13-22-38-35(29)34)14-12-23-39-36(43)40-24-25-41-37(30-16-6-3-7-17-30,31-18-8-4-9-19-31)32-20-10-5-11-21-32/h3-11,13,15-22,26-28,41-42H,12,14,23-25H2,1-2H3,(H2,39,40,43)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair
Lipoxygenase (Glycine max)	BDBM50025854 (CHEMBL3330901) Show SMILES COc1cc(NC(C)CCCNC(=O)NNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 Show InChI InChI=1S/C38H43N7O3/c1-28(43-34-27-33(48-2)26-29-15-13-22-39-35(29)34)14-12-23-40-36(46)44-45-37(47)41-24-25-42-38(30-16-6-3-7-17-30,31-18-8-4-9-19-31)32-20-10-5-11-21-32/h3-11,13,15-22,26-28,42-43H,12,14,23-25H2,1-2H3,(H2,40,44,46)(H2,41,45,47)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Zagreb Curated by ChEMBL					Assay Description Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotometry				Eur J Med Chem 86: 502-14 (2014) Article DOI: 10.1016/j.ejmech.2014.09.013 BindingDB Entry DOI: 10.7270/Q2Z89F0V
					More data for this Ligand-Target Pair