Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085213'   

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))	BDBM50085213 (CHEMBL162667 | {Cyclohexyl-[4-(4-phenyl-thiazol-2-...) Show SMILES OC(=O)\C=N\OC(C1CCCCC1)c1ccc(OCc2nc(cs2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H26N2O4S/c28-24(29)15-26-31-25(19-9-5-2-6-10-19)20-11-13-21(14-12-20)30-16-23-27-22(17-32-23)18-7-3-1-4-8-18/h1,3-4,7-8,11-15,17,19,25H,2,5-6,9-10,16H2,(H,28,29)/b26-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	21	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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