Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX15' and Ligand = 'BDBM469022'   

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
Polyunsaturated fatty acid lipoxygenase ALOX15 (Sus scrofa)	BDBM469022 (US10807974, Example 38 | US10995088, Example 38 | ...) Show SMILES CC(=O)N1CCCN(CCS(=O)(=O)c2ccc(cc2)S(=O)(=O)c2ccc(CN)s2)CC1 Show InChI InChI=1S/C20H27N3O5S3/c1-16(24)23-10-2-9-22(11-12-23)13-14-30(25,26)18-4-6-19(7-5-18)31(27,28)20-8-3-17(15-21)29-20/h3-8H,2,9-15,21H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...				Citation and Details BindingDB Entry DOI: 10.7270/Q25M69MF
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