Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50507391'   

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))	BDBM50507391 (CHEMBL4594116 | US10981879, Example 153) Show SMILES Nc1cc(SCc2nn(nc2C(F)F)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C15H12F2N8S/c16-14(17)12-9(22-25(23-12)8-4-2-1-3-5-8)7-26-10-6-11(18)19-15-13(10)20-24-21-15/h1-6,14H,7H2,(H3,18,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of human PMN leukocytes MPO peroxidation activity using H2O2 as substrate preincubated for 10 mins followed by H2O2 addition and measured ...				ACS Med Chem Lett 9: 1175-1180 (2018) Article DOI: 10.1021/acsmedchemlett.8b00308 BindingDB Entry DOI: 10.7270/Q2W0997Z
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50507391 (CHEMBL4594116 | US10981879, Example 153) Show SMILES Nc1cc(SCc2nn(nc2C(F)F)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C15H12F2N8S/c16-14(17)12-9(22-25(23-12)8-4-2-1-3-5-8)7-26-10-6-11(18)19-15-13(10)20-24-21-15/h1-6,14H,7H2,(H3,18,19,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen catal...				US Patent US10981879 (2021) BindingDB Entry DOI: 10.7270/Q2SN0D3M
					More data for this Ligand-Target Pair