BDBM50059620 5-(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl)-pentanoic acid methyl ester::CHEMBL94516

SMILES: COC(=O)CCCCc1ccc2Cc3cccc(O)c3C(=O)c2c1O

InChI Key: InChIKey=FIALOVSVBOBSHU-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50059620   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Arachidonate 5-lipoxygenase (Bos taurus)	BDBM50059620 (5-(1,8-Dihydroxy-9-oxo-9,10-dihydro-anthracen-2-yl...) Show SMILES COC(=O)CCCCc1ccc2Cc3cccc(O)c3C(=O)c2c1O Show InChI InChI=1S/C20H20O5/c1-25-16(22)8-3-2-5-12-9-10-14-11-13-6-4-7-15(21)17(13)20(24)18(14)19(12)23/h4,6-7,9-10,21,23H,2-3,5,8,11H2,1H3	PDB MMDB Reactome pathway UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Westfälische Wilhelms-Universität Münster Curated by ChEMBL					Assay Description 5-LO inhibitory activity, measured by production of 5-hydroxyeicosatetraenoic acid (5-HETE) and leukotriene B4 (LTB4) in bovine polymorphonuclear leu...				J Med Chem 40: 2780-7 (1997) Article DOI: 10.1021/jm9701785 BindingDB Entry DOI: 10.7270/Q28C9VB4
					More data for this Ligand-Target Pair