Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50133598'   

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
Myeloperoxidase (Homo sapiens (Human))	BDBM50133598 (CHEMBL3633458) Show SMILES COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1 Show InChI InChI=1S/C11H10N2O2S/c1-15-9-5-3-2-4-7(9)8-6-10(14)13-11(16)12-8/h2-6H,1H3,(H2,12,13,14,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Irreversible inhibition of MPO in LPS-stimulated human whole blood after 4 hrs by Amplex Red/H2O2-based fluorescence plate reader analysis				J Med Chem 58: 8513-28 (2015) Article DOI: 10.1021/acs.jmedchem.5b00963 BindingDB Entry DOI: 10.7270/Q2SQ926X
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