Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lipoxygenase' and Ligand = 'BDBM222275'   

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))	BDBM222275 (5-(4-Chloro-phenyl)-4[2-(4-chloro-phenyl)-2-oxo-et...) Show SMILES CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(Cl)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18Cl2O4/c1-3-27-22(26)20-13(2)28-21(15-6-10-17(24)11-7-15)18(20)12-19(25)14-4-8-16(23)9-5-14/h4-11H,3,12H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	345	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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