Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50394774'   

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 5-lipoxygenase (Homo sapiens (Human))	BDBM50394774 (CHEMBL2163385) Show SMILES [O-][N+](=O)c1ccc(CSc2cc3ccccc3[nH]2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O4S/c19-17(20)12-6-5-11(14(8-12)18(21)22)9-23-15-7-10-3-1-2-4-13(10)16-15/h1-8,16H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom...				J Med Chem 55: 2597-605 (2012) Article DOI: 10.1021/jm201497k BindingDB Entry DOI: 10.7270/Q20P115J
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50394774 (CHEMBL2163385) Show SMILES [O-][N+](=O)c1ccc(CSc2cc3ccccc3[nH]2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O4S/c19-17(20)12-6-5-11(14(8-12)18(21)22)9-23-15-7-10-3-1-2-4-13(10)16-15/h1-8,16H,9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduction in LTB4 production pre-incubated for 20 mins before A23187 additi...				J Med Chem 55: 2597-605 (2012) Article DOI: 10.1021/jm201497k BindingDB Entry DOI: 10.7270/Q20P115J
					More data for this Ligand-Target Pair