Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085202'   

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))	BDBM50085202 (2-{4-(4-Fluoro-phenyl)-1-[4-(quinolin-2-ylmethoxy)...) Show SMILES C\C(=N/OC(CCCc1ccc(F)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O Show InChI InChI=1S/C29H27FN2O4/c1-20(29(33)34)32-36-28(8-4-5-21-9-14-24(30)15-10-21)23-12-17-26(18-13-23)35-19-25-16-11-22-6-2-3-7-27(22)31-25/h2-3,6-7,9-18,28H,4-5,8,19H2,1H3,(H,33,34)/b32-20+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9	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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