Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-lipoxygenase' and Ligand = 'BDBM50052455'   

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)	BDBM50052455 (1,8-Dihydroxy-10-phenethylsulfanyl-10H-anthracen-9...) Show SMILES Oc1cccc2C(SCCc3ccccc3)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C22H18O3S/c23-17-10-4-8-15-19(17)21(25)20-16(9-5-11-18(20)24)22(15)26-13-12-14-6-2-1-3-7-14/h1-11,22-24H,12-13H2	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
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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