Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM24563'   

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))	BDBM24563 (Pirinixic acid-based compound, 6h | ethyl 2-({4-ch...) Show SMILES CCCCCCC(Sc1nc(Cl)cc(NCc2ccc3ncccc3c2)n1)C(=O)OCC Show InChI InChI=1S/C24H29ClN4O2S/c1-3-5-6-7-10-20(23(30)31-4-2)32-24-28-21(25)15-22(29-24)27-16-17-11-12-19-18(14-17)9-8-13-26-19/h8-9,11-15,20H,3-7,10,16H2,1-2H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	1.40E+3	n/a	n/a	7.4	37
Eberhard-Karls-University Tuebingen					Assay Description For determination of the activity of 5-LO in 100000g supernatants, aliquots of the supernatants were added to reaction mix, and were preincubated wit...				J Med Chem 51: 5449-53 (2008) Article DOI: 10.1021/jm800588x BindingDB Entry DOI: 10.7270/Q2SN077B
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