Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM24559'   

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))	BDBM24559 (Pirinixic acid-based compound, 5b | ethyl 2-{[4-ch...) Show SMILES CCCCC(Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1)C(=O)OCC Show InChI InChI=1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,3-5,8H2,1-2H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	7.4	37
Eberhard-Karls-University Tuebingen					Assay Description For assays of intact cells, 5000,000 freshly isolated PMNL cells were resuspended in PGC buffer. After preincubation with the test compounds for 15 m...				J Med Chem 51: 5449-53 (2008) Article DOI: 10.1021/jm800588x BindingDB Entry DOI: 10.7270/Q2SN077B
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