Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50446686'   

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))	BDBM50446686 (CHEMBL3113612) Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of 5-LOX (unknown origin) by UV-Vis spectrophotometry				Bioorg Med Chem 22: 1642-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.027 BindingDB Entry DOI: 10.7270/Q2KH0PT3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50446686 (CHEMBL3113612) Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA in presence of pig liver esterase				Bioorg Med Chem 22: 1642-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.027 BindingDB Entry DOI: 10.7270/Q2KH0PT3
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50446686 (CHEMBL3113612) Show SMILES COC(=O)CNC(=O)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H18N2O6S/c1-13-7-9-14(10-8-13)29(26,27)22-12-16(15-5-3-4-6-17(15)22)19(24)20(25)21-11-18(23)28-2/h3-10,12H,11H2,1-2H3,(H,21,25)	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	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Guru Nanak Dev University Curated by ChEMBL					Assay Description Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate after 5 mins by EIA				Bioorg Med Chem 22: 1642-8 (2014) Article DOI: 10.1016/j.bmc.2014.01.027 BindingDB Entry DOI: 10.7270/Q2KH0PT3
					More data for this Ligand-Target Pair