Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lipoxygenase' and Ligand = 'BDBM222271'   

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 (Soybean))	BDBM222271 (2-Methyl-4-(2-oxo-2-p-tolyl-ethyl)-5-p-tolyl-furan...) Show SMILES CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)cc1)-c1ccc(C)cc1 Show InChI InChI=1S/C24H24O4/c1-5-27-24(26)22-17(4)28-23(19-12-8-16(3)9-13-19)20(22)14-21(25)18-10-6-15(2)7-11-18/h6-13H,5,14H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	246	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSIR - Indian Institute of Chemical Biology					Assay Description The crystal structure of soybean lipoxygenase-1 (PDB code: 3PZW), was used in our docking experiments. The 3D structure of 3PZW was reported by Chrus...				Bioorg Chem 71: 97-101 (2017) Article DOI: 10.1016/j.bioorg.2017.01.016 BindingDB Entry DOI: 10.7270/Q2F76BCD
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