Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX12' and Ligand = 'BDBM50052460'   

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 (Mus musculus)	BDBM50052460 (1,8-Dihydroxy-10-phenylsulfanyl-10H-anthracen-9-on...) Show SMILES Oc1cccc2C(Sc3ccccc3)c3cccc(O)c3C(=O)c12 Show InChI InChI=1S/C20H14O3S/c21-15-10-4-8-13-17(15)19(23)18-14(9-5-11-16(18)22)20(13)24-12-6-2-1-3-7-12/h1-11,20-22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universität Regensburg Curated by ChEMBL					Assay Description Tested for inhibition of 12-LO (12-lipoxygenase) as an inhibitor of 12(S)-HETE biosynthesis in mouse epidermal homogenates				J Med Chem 39: 3132-8 (1996) Article DOI: 10.1021/jm960259l BindingDB Entry DOI: 10.7270/Q2MK6BZ1
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