Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Seed linoleate 13S-lipoxygenase-1' and Ligand = 'BDBM50379791'   

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))	BDBM50379791 (METHYLEUGENOL | Methyl eugenol (1)) Show SMILES COc1ccc(CC=C)cc1OC Show InChI InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+4	n/a	n/a	n/a	n/a	7.0	25
Ferdowsi University of Mashhad					Assay Description Solution A was 50 mm DMAB in an 100 mm phosphate buffer (pH 7.0). Solution B was a mixture of 10 mm MBTH (3 mL) and hemoglobin (5 mg/mL, 3 mL) in 50 ...				Chem Biol Drug Des 88: 460-9 (2016) Article DOI: 10.1111/cbdd.12779 BindingDB Entry DOI: 10.7270/Q2TT4PSF
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