Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085192'   

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))	BDBM50085192 (2-{Cyclohexyl-[4-(6-fluoro-quinolin-2-ylmethoxy)-p...) Show SMILES C\C(=N/OC(C1CCCCC1)c1ccc(OCc2ccc3cc(F)ccc3n2)cc1)C(O)=O Show InChI InChI=1S/C26H27FN2O4/c1-17(26(30)31)29-33-25(18-5-3-2-4-6-18)19-8-12-23(13-9-19)32-16-22-11-7-20-15-21(27)10-14-24(20)28-22/h7-15,18,25H,2-6,16H2,1H3,(H,30,31)/b29-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay				J Med Chem 43: 690-705 (2000) BindingDB Entry DOI: 10.7270/Q2HD7WCR
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