Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lipoxygenase' and Ligand = 'BDBM222276'   

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))	BDBM222276 (5-(3-Chloro-4-methyl-phenyl)-4-[2-(3-chloro-4-meth...) Show SMILES CCOC(=O)c1c(C)oc(c1CC(=O)c1ccc(C)c(Cl)c1)-c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C24H22Cl2O4/c1-5-29-24(28)22-15(4)30-23(17-9-7-14(3)20(26)11-17)18(22)12-21(27)16-8-6-13(2)19(25)10-16/h6-11H,5,12H2,1-4H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	539	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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