Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50521303'   

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))	BDBM50521303 (CHEMBL4578414) Show SMILES Clc1ccc(NC(=O)Nc2ccc(\C=C\c3nc4ccccc4s3)cc2)cc1Cl Show InChI InChI=1S/C22H15Cl2N3OS/c23-17-11-10-16(13-18(17)24)26-22(28)25-15-8-5-14(6-9-15)7-12-21-27-19-3-1-2-4-20(19)29-21/h1-13H,(H2,25,26,28)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Inhibition of 5-LO in human neutrophils preincubated for 10 mins followed by Ca2+ ionophore A23187 addition and measured after 10 mins by RP-HPLC ana...				ACS Med Chem Lett 10: 62-66 (2019) Article DOI: 10.1021/acsmedchemlett.8b00415 BindingDB Entry DOI: 10.7270/Q2J106JK
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