Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM357645'   

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))	BDBM357645 (US10214527, Example 17) Show SMILES Nc1cc(Cc2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description MPO peroxidation activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Amplex Red (Invitrogen catalog # A12222) which...				US Patent US10214527 (2019) BindingDB Entry DOI: 10.7270/Q2DR2XRQ
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM357645 (US10214527, Example 17) Show SMILES Nc1cc(Cc2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins by amplex red dye based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM357645 (US10214527, Example 17) Show SMILES Nc1cc(Cc2cccc(c2)-c2ccccc2)c2nn[nH]c2n1 Show InChI InChI=1S/C18H15N5/c19-16-11-15(17-18(20-16)22-23-21-17)10-12-5-4-8-14(9-12)13-6-2-1-3-7-13/h1-9,11H,10H2,(H3,19,20,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human MPO incubated for 10 mins in presence of 240 mM NaCl and 10 uM H2O2 by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
					More data for this Ligand-Target Pair