Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-lipoxygenase' and Ligand = 'BDBM50052469'   

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
5-lipoxygenase (Bos taurus)	BDBM50052469 ((4,5-Dihydroxy-10-oxo-9,10-dihydro-anthracen-9-yls...) Show SMILES COC(=O)CSC1c2cccc(O)c2C(=O)c2c(O)cccc12 Show InChI InChI=1S/C17H14O5S/c1-22-13(20)8-23-17-9-4-2-6-11(18)14(9)16(21)15-10(17)5-3-7-12(15)19/h2-7,17-19H,8H2,1H3	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 5-lipoxygenase as inhibition of 5-HETE and LTB4 biosynthesis in bovine PMNL				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
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