Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Myeloperoxidase' and Ligand = 'BDBM434867'   

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))	BDBM434867 (7-[(17S)-18-Phenyl-16-oxa-2,8,9-triazapentacyclo[1...) Show SMILES Nc1cc(C2CCNC34CCC(CC3)([C@H](C4)Oc3cccc(Cn4cc2cn4)c3)c2ccccc2)c2nn[nH]c2n1 |r,wD:14.15,(-2.43,-8.47,;-1.1,-7.7,;-1.1,-6.16,;.24,-5.39,;.24,-3.85,;1.57,-3.08,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;4.24,3.08,;2.9,3.85,;3.67,2.52,;2.13,2.1,;1.57,3.08,;1.57,1.54,;.28,3.46,;-1.26,3.46,;-2.35,4.55,;-3.84,4.15,;-4.24,2.66,;-3.15,1.57,;-3.55,.08,;-2.9,-1.31,;-1.38,-1.6,;-1.19,-3.13,;-2.59,-3.78,;-3.64,-2.66,;-1.66,1.97,;2.9,5.39,;1.57,6.16,;1.57,7.7,;2.9,8.47,;4.24,7.7,;4.24,6.16,;1.57,-6.16,;3.04,-5.68,;3.94,-6.93,;3.04,-8.18,;1.57,-7.7,;.24,-8.47,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	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
Myeloperoxidase (Homo sapiens (Human))	BDBM434867 (7-[(17S)-18-Phenyl-16-oxa-2,8,9-triazapentacyclo[1...) Show SMILES Nc1cc(C2CCNC34CCC(CC3)([C@H](C4)Oc3cccc(Cn4cc2cn4)c3)c2ccccc2)c2nn[nH]c2n1 |r,wD:14.15,(-2.43,-8.47,;-1.1,-7.7,;-1.1,-6.16,;.24,-5.39,;.24,-3.85,;1.57,-3.08,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;4.24,3.08,;2.9,3.85,;3.67,2.52,;2.13,2.1,;1.57,3.08,;1.57,1.54,;.28,3.46,;-1.26,3.46,;-2.35,4.55,;-3.84,4.15,;-4.24,2.66,;-3.15,1.57,;-3.55,.08,;-2.9,-1.31,;-1.38,-1.6,;-1.19,-3.13,;-2.59,-3.78,;-3.64,-2.66,;-1.66,1.97,;2.9,5.39,;1.57,6.16,;1.57,7.7,;2.9,8.47,;4.24,7.7,;4.24,6.16,;1.57,-6.16,;3.04,-5.68,;3.94,-6.93,;3.04,-8.18,;1.57,-7.7,;.24,-8.47,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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
Myeloperoxidase (Homo sapiens (Human))	BDBM434867 (7-[(17S)-18-Phenyl-16-oxa-2,8,9-triazapentacyclo[1...) Show SMILES Nc1cc(C2CCNC34CCC(CC3)([C@H](C4)Oc3cccc(Cn4cc2cn4)c3)c2ccccc2)c2nn[nH]c2n1 |r,wD:14.15,(-2.43,-8.47,;-1.1,-7.7,;-1.1,-6.16,;.24,-5.39,;.24,-3.85,;1.57,-3.08,;1.57,-1.54,;2.9,-.77,;2.9,.77,;4.24,1.54,;4.24,3.08,;2.9,3.85,;3.67,2.52,;2.13,2.1,;1.57,3.08,;1.57,1.54,;.28,3.46,;-1.26,3.46,;-2.35,4.55,;-3.84,4.15,;-4.24,2.66,;-3.15,1.57,;-3.55,.08,;-2.9,-1.31,;-1.38,-1.6,;-1.19,-3.13,;-2.59,-3.78,;-3.64,-2.66,;-1.66,1.97,;2.9,5.39,;1.57,6.16,;1.57,7.7,;2.9,8.47,;4.24,7.7,;4.24,6.16,;1.57,-6.16,;3.04,-5.68,;3.94,-6.93,;3.04,-8.18,;1.57,-7.7,;.24,-8.47,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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