Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX12' and Ligand = 'BDBM79311'   

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))	BDBM79311 (MLS002391513 | N-[(4-chloranyl-1-oxidanyl-naphthal...) Show SMILES CC(=O)NC(c1ccco1)c1cc(Cl)c2ccccc2c1O Show InChI InChI=1S/C17H14ClNO3/c1-10(20)19-16(15-7-4-8-22-15)13-9-14(18)11-5-2-3-6-12(11)17(13)21/h2-9,16,21H,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...				J Med Chem 54: 5485-97 (2011) Article DOI: 10.1021/jm2005089 BindingDB Entry DOI: 10.7270/Q25T3KVT
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