Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50386166'   

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))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,30,31)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in human neutrophil preincubated for 15 mins before substrate arachidonic acid addition measured after 10 mins by HPLC m...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50386166 (CHEMBL2042364) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1cn(Cc2ccc(cc2[N+]([O-])=O)C(O)=O)nn1 Show InChI InChI=1S/C23H16N4O6/c28-22(29)17-7-3-15(4-8-17)14-1-5-16(6-2-14)20-13-26(25-24-20)12-19-10-9-18(23(30)31)11-21(19)27(32)33/h1-11,13H,12H2,(H,28,29)(H,30,31)	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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Salerno Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase in cell-free system preincubated for 10 mins before substrate arachidonic acid addition measured after...				Eur J Med Chem 54: 311-23 (2012) Article DOI: 10.1016/j.ejmech.2012.05.014 BindingDB Entry DOI: 10.7270/Q21J9BTR
					More data for this Ligand-Target Pair