BDBM434851 7-{17-Oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,16]pentacosa-1(23),4,6(25),12,14,16::US10577383, Example 9

SMILES Nc1cc(C2CCNCc3cccc(OCc4cccc(Cn5cc2cn5)c4)c3)c2nn[nH]c2n1

InChI Key

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 434851   

TargetMyeloperoxidase(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM434851(7-{17-Oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,...)
Affinity DataIC50:  50nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetMyeloperoxidase(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM434851(7-{17-Oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,...)
Affinity DataIC50:  8nMAssay Description:Inhibition of MPO (unknown origin) chlorination activity incubated for 10 mins followed by NaCl addition by aminophenyl fluorescein assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMyeloperoxidase(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM434851(7-{17-Oxa-3,4,10-triazatetracyclo[17.3.1.13,6.112,...)
Affinity DataIC50:  50nMAssay Description:MPO chlorination activity was measured in 100 mM KPi (pH 7.4) by utilizing the non-fluorescent reagent Aminophenyl fluorescein (APF, Invitrogen Cat. ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent