Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50394753'   

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))	BDBM50394753 (CHEMBL2165867) Show SMILES C(Sc1ccccc1)c1nnc2sc(nn12)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H14N4O2S2/c1-2-4-13(5-3-1)25-11-16-19-20-18-22(16)21-17(26-18)12-6-7-14-15(10-12)24-9-8-23-14/h1-7,10H,8-9,11H2	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	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))	BDBM50394753 (CHEMBL2165867) Show SMILES C(Sc1ccccc1)c1nnc2sc(nn12)-c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H14N4O2S2/c1-2-4-13(5-3-1)25-11-16-19-20-18-22(16)21-17(26-18)12-6-7-14-15(10-12)24-9-8-23-14/h1-7,10H,8-9,11H2	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	>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