Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50444815'   

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))	BDBM50444815 (CHEMBL3099220) Show SMILES CC(C)(C)c1cc(C=NNC(=O)c2ccncc2)c(O)c(c1)C(C)(C)C |w:7.6| Show InChI InChI=1S/C21H27N3O2/c1-20(2,3)16-11-15(18(25)17(12-16)21(4,5)6)13-23-24-19(26)14-7-9-22-10-8-14/h7-13,25H,1-6H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of 5-LOX (unknown origin) by ELISA				Bioorg Med Chem Lett 24: 317-24 (2013) Article DOI: 10.1016/j.bmcl.2013.11.015 BindingDB Entry DOI: 10.7270/Q2BK1DTP
					More data for this Ligand-Target Pair