Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM434866'   

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))	BDBM434866 (7-[(3R,4S,6S,10R)-4-Benzyl-2-oxa-7,13,14-triazatet...) Show SMILES Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r| 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	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assay				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128010 BindingDB Entry DOI: 10.7270/Q2PZ5DKZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM434866 (7-[(3R,4S,6S,10R)-4-Benzyl-2-oxa-7,13,14-triazatet...) Show SMILES Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	50	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 Cat. #A12222) which can...				US Patent US10577383 (2020) BindingDB Entry DOI: 10.7270/Q2474D8B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM434866 (7-[(3R,4S,6S,10R)-4-Benzyl-2-oxa-7,13,14-triazatet...) Show SMILES Nc1cc([C@H]2CCN[C@H]3C[C@H](Cc4ccccc4)[C@@H](C3)Oc3cccc(Cn4cc2cn4)c3)c2nn[nH]c2n1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	50	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 Cat. ...				US Patent US10577383 (2020) BindingDB Entry DOI: 10.7270/Q2474D8B
					More data for this Ligand-Target Pair				3D Structure (crystal)