Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50005222   

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
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50282770 (CHEMBL2296824) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(C)CC1 Show InChI InChI=1S/C18H23N5S/c1-3-6-14-16-17(24-15-8-5-4-7-13(15)19-16)21-18(20-14)23-11-9-22(2)10-12-23/h4-5,7-8,19H,3,6,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192766 (4-MMPB) Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1 Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	198	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192766 (4-MMPB) Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1 Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	204	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489108 (CHEMBL2296821) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCC(C)CC1 Show InChI InChI=1S/C19H24N4S/c1-3-6-15-17-18(24-16-8-5-4-7-14(16)20-17)22-19(21-15)23-11-9-13(2)10-12-23/h4-5,7-8,13,20H,3,6,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489109 (CHEMBL2296820) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCCCC1 Show InChI InChI=1S/C18H22N4S/c1-2-8-14-16-17(23-15-10-5-4-9-13(15)19-16)21-18(20-14)22-11-6-3-7-12-22/h4-5,9-10,19H,2-3,6-8,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	662	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489110 (CHEMBL2296823) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C23H25N5S/c1-2-8-19-21-22(29-20-12-7-6-11-18(20)24-21)26-23(25-19)28-15-13-27(14-16-28)17-9-4-3-5-10-17/h3-7,9-12,24H,2,8,13-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489112 (CHEMBL2296819) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCCC1 Show InChI InChI=1S/C17H20N4S/c1-2-7-13-15-16(20-17(19-13)21-10-5-6-11-21)22-14-9-4-3-8-12(14)18-15/h3-4,8-9,18H,2,5-7,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489111 (CHEMBL2296822) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCOCC1 Show InChI InChI=1S/C17H20N4OS/c1-2-5-13-15-16(23-14-7-4-3-6-12(14)18-15)20-17(19-13)21-8-10-22-11-9-21/h3-4,6-7,18H,2,5,8-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	2.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Glycine max (soybean) 15-lipoxygenase activity assessed as decrease in peroxide formation using linoleic acid as substrate preincubated...				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50282770 (CHEMBL2296824) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(C)CC1 Show InChI InChI=1S/C18H23N5S/c1-3-6-14-16-17(24-15-8-5-4-7-13(15)19-16)21-18(20-14)23-11-9-22(2)10-12-23/h4-5,7-8,19H,3,6,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192766 (4-MMPB) Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1 Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM192766 (4-MMPB) Show SMILES CN1CCN(CC1)c1nc(C)c2Nc3ccccc3Sc2n1 Show InChI InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article	n/a	n/a	4.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489108 (CHEMBL2296821) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCC(C)CC1 Show InChI InChI=1S/C19H24N4S/c1-3-6-15-17-18(24-16-8-5-4-7-14(16)20-17)22-19(21-15)23-11-9-13(2)10-12-23/h4-5,7-8,13,20H,3,6,9-12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	8.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489109 (CHEMBL2296820) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCCCC1 Show InChI InChI=1S/C18H22N4S/c1-2-8-14-16-17(23-15-10-5-4-9-13(15)19-16)21-18(20-14)22-11-6-3-7-12-22/h4-5,9-10,19H,2-3,6-8,11-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489110 (CHEMBL2296823) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C23H25N5S/c1-2-8-19-21-22(29-20-12-7-6-11-18(20)24-21)26-23(25-19)28-15-13-27(14-16-28)17-9-4-3-5-10-17/h3-7,9-12,24H,2,8,13-16H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	4.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489112 (CHEMBL2296819) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCCC1 Show InChI InChI=1S/C17H20N4S/c1-2-7-13-15-16(20-17(19-13)21-10-5-6-11-21)22-14-9-4-3-8-12(14)18-15/h3-4,8-9,18H,2,5-7,10-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	6.11E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair
Seed linoleate 13S-lipoxygenase-1 (Glycine max (soybean))	BDBM50489111 (CHEMBL2296822) Show SMILES CCCc1nc(nc2Sc3ccccc3Nc12)N1CCOCC1 Show InChI InChI=1S/C17H20N4OS/c1-2-5-13-15-16(23-14-7-4-3-6-12(14)18-15)20-17(19-13)21-8-10-22-11-9-21/h3-4,6-7,18H,2,5,8-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	7.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Competitive inhibition of Glycine max (soybean) 15-lipoxygenase activity using linoleic acid as substrate by Lineweaver-burk plot analysis				Citation and Details Article DOI: 10.1007/s00044-013-0506-7 BindingDB Entry DOI: 10.7270/Q2M90CKG
					More data for this Ligand-Target Pair