Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50394761'   

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))	BDBM50394761 (CHEMBL2165873) Show SMILES Oc1c(I)cc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O Show InChI InChI=1S/C16H8IN3O4S/c17-9-5-8(6-12(14(9)21)20(23)24)7-13-15(22)19-11-4-2-1-3-10(11)18-16(19)25-13/h1-7,21H/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.38E+4	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))	BDBM50394761 (CHEMBL2165873) Show SMILES Oc1c(I)cc(\C=c2/sc3nc4ccccc4n3c2=O)cc1[N+]([O-])=O Show InChI InChI=1S/C16H8IN3O4S/c17-9-5-8(6-12(14(9)21)20(23)24)7-13-15(22)19-11-4-2-1-3-10(11)18-16(19)25-13/h1-7,21H/b13-7-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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