Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50297875'   

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))	BDBM50297875 (2-(4-(3-(m-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-9-21(22(23)24)27-20-12-10-18(11-13-20)25-14-6-15-26-19-8-5-7-17(2)16-19/h5,7-8,10-13,16,21H,3-4,6,9,14-15H2,1-2H3,(H,23,24)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in A23187-stimulated human PMNL assessed as enzyme product formation preincubated 15 mins by RP-HPLC analysis in presenc...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Homo sapiens (Human))	BDBM50297875 (2-(4-(3-(m-tolyloxy)propoxy)phenylthio)hexanoic ac...) Show SMILES CCCCC(Sc1ccc(OCCCOc2cccc(C)c2)cc1)C(O)=O Show InChI InChI=1S/C22H28O4S/c1-3-4-9-21(22(23)24)27-20-12-10-18(11-13-20)25-14-6-15-26-19-8-5-7-17(2)16-19/h5,7-8,10-13,16,21H,3-4,6,9,14-15H2,1-2H3,(H,23,24)	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+4	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University Tuebingen Curated by ChEMBL					Assay Description Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli BL21 assessed as enzyme product formation using using arachidonic acid a...				Bioorg Med Chem 19: 3394-401 (2011) Article DOI: 10.1016/j.bmc.2011.04.034 BindingDB Entry DOI: 10.7270/Q2DV1K62
					More data for this Ligand-Target Pair