Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50041159'   

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))	BDBM50041159 (2-(Acetyl-{2-[1-(4-chloro-benzyl)-4-methyl-6-(5-ph...) Show SMILES CC(N(CCc1c2SC(C)Cc3c(OCc4ccc(cn4)-c4ccccc4)ccc(n1Cc1ccc(Cl)cc1)c23)C(C)=O)C(O)=O Show InChI InChI=1S/C37H36ClN3O4S/c1-23-19-31-34(45-22-30-14-11-28(20-39-30)27-7-5-4-6-8-27)16-15-32-35(31)36(46-23)33(17-18-40(25(3)42)24(2)37(43)44)41(32)21-26-9-12-29(38)13-10-26/h4-16,20,23-24H,17-19,21-22H2,1-3H3,(H,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description In vitro inhibition of human 5-Lipoxygenase.				J Med Chem 37: 1153-64 (1994) BindingDB Entry DOI: 10.7270/Q2PV6JF5
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