Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50207343'   

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))	BDBM50207343 (CHEMBL3931344) Show SMILES CC1(C)Cc2c(O1)c(cc1nc(Nc3c(F)cccc3Cl)[nH]c21)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H19ClF4N4O2/c1-24(2)11-15-19-18(32-23(33-19)34-20-16(26)4-3-5-17(20)27)10-14(21(15)36-24)22(35)31-13-8-6-12(7-9-13)25(28,29)30/h3-10H,11H2,1-2H3,(H,31,35)(H2,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Pharmaceuticals Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-LO expressed in Sf9 cells using arachidonic acid as substrate by rhodamine123 based fluorescence assay				Bioorg Med Chem Lett 27: 5131-5138 (2017) Article DOI: 10.1016/j.bmcl.2017.10.062 BindingDB Entry DOI: 10.7270/Q2JS9T0V
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