Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50014204'   

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 (Rattus norvegicus)	BDBM50014204 (5-Hydroxy-2-phenylsulfanyl-penta-2,4-dienoic acid ...) Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC=O |w:13.14| Show InChI InChI=1S/C13H14O3S/c1-2-16-13(15)12(9-6-10-14)17-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Curated by ChEMBL					Assay Description Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(RBL1) cell homogenates, (reduction of [14C]-5-HETE formation)				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50014204 (5-Hydroxy-2-phenylsulfanyl-penta-2,4-dienoic acid ...) Show SMILES CCOC(=O)C(Sc1ccccc1)=CCC=O |w:13.14| Show InChI InChI=1S/C13H14O3S/c1-2-16-13(15)12(9-6-10-14)17-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry Curated by ChEMBL					Assay Description In vitro inhibition of 5-lipoxygenase in rat (peritoneal assay)				J Med Chem 33: 2744-9 (1990) BindingDB Entry DOI: 10.7270/Q2MK6BVP
					More data for this Ligand-Target Pair