Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid lipoxygenase ALOX12' and Ligand = 'BDBM50447187'   

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))	BDBM50447187 (CHEMBL3113372 | US10752581, Compound 81) Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C23H19BrN2O3S/c24-19-7-5-18(23(27)14-19)15-25-20-9-11-22(12-10-20)30(28,29)26-21-8-6-16-3-1-2-4-17(16)13-21/h1-14,25-27H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Virginia Medical School; The Regents of the University of California Santa; The United States of America Department of Health; Thomas Jefferson University US Patent					Assay Description UV-vis cuvette-based assay.				US Patent US10752581 (2020) BindingDB Entry DOI: 10.7270/Q2C82DB0
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447187 (CHEMBL3113372 | US10752581, Compound 81) Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C23H19BrN2O3S/c24-19-7-5-18(23(27)14-19)15-25-20-9-11-22(12-10-20)30(28,29)26-21-8-6-16-3-1-2-4-17(16)13-21/h1-14,25-27H,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair