Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM50554052'   

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))	BDBM50554052 (CHEMBL4763667) Show SMILES Nc1cc([C@H](CCN[C@H]2CC[C@@H](CC2)c2ccccc2)c2ccccc2)c2nn[nH]c2n1 |r,wU:4.4,11.14,wD:8.7,(28.35,-39.89,;29.68,-39.12,;29.69,-37.58,;31.01,-36.8,;31,-35.26,;32.34,-34.49,;33.67,-35.25,;35.01,-34.48,;36.35,-35.25,;36.34,-36.78,;37.67,-37.55,;39.01,-36.78,;39.01,-35.24,;37.67,-34.47,;40.33,-37.55,;40.33,-39.1,;41.66,-39.87,;43,-39.1,;43,-37.55,;41.66,-36.78,;29.67,-34.5,;29.67,-32.96,;28.34,-32.19,;27,-32.97,;27.01,-34.52,;28.35,-35.27,;32.35,-37.57,;33.81,-37.09,;34.72,-38.34,;33.81,-39.59,;32.35,-39.11,;31.01,-39.89,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	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
					More data for this Ligand-Target Pair				3D Structure (crystal)