Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 341.4 BDBM50282770

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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))	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
Lipoxygenase (Glycine max)	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	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Medical University of Silesia Curated by ChEMBL					Assay Description Inhibition of soybean lipoxygenase				Eur J Med Chem 138: 774-806 (2017) Article DOI: 10.1016/j.ejmech.2017.07.009 BindingDB Entry DOI: 10.7270/Q26H4KZR
					More data for this Ligand-Target Pair