Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085170'   

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))	BDBM50085170 (2-{Cycloheptyl-[4-(quinolin-2-ylmethoxy)-phenyl]-m...) Show SMILES C\C(=N/OC(C1CCCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(O)=O Show InChI InChI=1S/C27H30N2O4/c1-19(27(30)31)29-33-26(21-9-4-2-3-5-10-21)22-13-16-24(17-14-22)32-18-23-15-12-20-8-6-7-11-25(20)28-23/h6-8,11-17,21,26H,2-5,9-10,18H2,1H3,(H,30,31)/b29-19+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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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