Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085225'   

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))	BDBM50085225 (4-({Cyclohexyl-[4-(quinolin-2-ylmethoxy)-phenyl]-m...) Show SMILES OC(=O)c1ccc(\C=N\OC(C2CCCCC2)c2ccc(OCc3ccc4ccccc4n3)cc2)cc1 Show InChI InChI=1S/C31H30N2O4/c34-31(35)26-12-10-22(11-13-26)20-32-37-30(24-7-2-1-3-8-24)25-15-18-28(19-16-25)36-21-27-17-14-23-6-4-5-9-29(23)33-27/h4-6,9-20,24,30H,1-3,7-8,21H2,(H,34,35)/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	31	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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