Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50394752'   

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))	BDBM50394752 (CHEMBL2165865) Show SMILES CC(=NCc1ccc(Cl)c(Cl)c1)c1c([nH]n(-c2nc3ccccc3s2)c1=O)C(F)(F)F |w:2.2| Show InChI InChI=1S/C20H13Cl2F3N4OS/c1-10(26-9-11-6-7-12(21)13(22)8-11)16-17(20(23,24)25)28-29(18(16)30)19-27-14-4-2-3-5-15(14)31-19/h2-8,28H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+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))	BDBM50394752 (CHEMBL2165865) Show SMILES CC(=NCc1ccc(Cl)c(Cl)c1)c1c([nH]n(-c2nc3ccccc3s2)c1=O)C(F)(F)F |w:2.2| Show InChI InChI=1S/C20H13Cl2F3N4OS/c1-10(26-9-11-6-7-12(21)13(22)8-11)16-17(20(23,24)25)28-29(18(16)30)19-27-14-4-2-3-5-15(14)31-19/h2-8,28H,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	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