Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX12' and Ligand = 'BDBM106785'   

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 lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM106785 (5-Hydroxy-7-benzyl-4′-nitro-isoflavone (4b) ...) Show SMILES Oc1cc(OCc2ccccc2)cc2occ(-c3ccc(cc3)[N+]([O-])=O)c(=O)c12 Show InChI InChI=1S/C22H15NO6/c24-19-10-17(28-12-14-4-2-1-3-5-14)11-20-21(19)22(25)18(13-29-20)15-6-8-16(9-7-15)23(26)27/h1-11,13,24H,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	23
Universidad de Santiago de Chile					Assay Description All reactions were carried in a volume of 2 mL stirred at 23°C with approximately 2.040 Units of 12-hLOX, 4.200 Units of 15-hLOX-1, and 6.600 Un...				Chem Biol Drug Des 82: 317-25 (2013) Article DOI: 10.1111/cbdd.12157 BindingDB Entry DOI: 10.7270/Q2PZ57F3
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