Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50554054'   

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))	BDBM50554054 (CHEMBL4751166) Show SMILES Nc1cc(C(CCNC23CCC(CC2)(OC3)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |(4.37,-54.45,;5.71,-53.68,;5.71,-52.14,;7.04,-51.36,;7.04,-49.82,;8.37,-49.05,;9.71,-49.81,;11.04,-49.04,;12.38,-49.81,;12.38,-51.34,;13.7,-52.11,;15.05,-51.34,;13.82,-51.06,;13.7,-50.02,;15.04,-49.8,;13.7,-49.02,;16.37,-52.11,;16.37,-53.66,;17.71,-54.43,;19.04,-53.66,;19.04,-52.11,;17.71,-51.34,;5.7,-49.06,;5.7,-47.52,;4.36,-46.75,;3.03,-47.52,;3.04,-49.07,;4.38,-49.83,;8.38,-52.13,;9.85,-51.65,;10.76,-52.9,;9.85,-54.15,;8.38,-53.67,;7.04,-54.45,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.30	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 120 mM NaCl by aminophenyl fluorescein based assay				Citation and Details Article DOI: 10.1016/j.bmc.2020.115723 BindingDB Entry DOI: 10.7270/Q21Z4829
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