Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50015203'   

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))	BDBM50015203 (4-Pentadeca-1,3,6-trienylsulfanyl-butyric acid met...) Show SMILES CCCCCCCC\C=C/C\C=C/C=C/SCCCC(=O)OC Show InChI InChI=1S/C20H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h10-11,13-15,18H,3-9,12,16-17,19H2,1-2H3/b11-10-,14-13-,18-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibitory activity against 5-lipoxygenase expressed from human polymorphonuclear cells				J Med Chem 33: 1163-70 (1990) BindingDB Entry DOI: 10.7270/Q2S75F9G
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid 5-lipoxygenase (Rattus norvegicus)	BDBM50015203 (4-Pentadeca-1,3,6-trienylsulfanyl-butyric acid met...) Show SMILES CCCCCCCC\C=C/C\C=C/C=C/SCCCC(=O)OC Show InChI InChI=1S/C20H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h10-11,13-15,18H,3-9,12,16-17,19H2,1-2H3/b11-10-,14-13-,18-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Molecular Therapeutics Inc. Curated by ChEMBL					Assay Description Inhibition of 5-lipoxygenase in rat RBL-1 cells				J Med Chem 33: 1163-70 (1990) BindingDB Entry DOI: 10.7270/Q2S75F9G
					More data for this Ligand-Target Pair