BDBM739871 US20250154115, Compound 79

SMILES CN(C)CCOc1ccc(-c2onc3ccc(-c4nnn[nH]4)cc23)cc1

InChI Key

  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 4 hits for monomerid = 739871   

TargetInositol hexakisphosphate kinase 3(Human)
University of North Carolina at Chapel Hill

US Patent
LigandPNGBDBM739871(US20250154115, Compound 79)
Affinity DataIC50: 550nMAssay Description:Enzyme activity was assayed at 37° C. in 50 μL reaction mixtures containing 100 nM IP6K1 or IP6K2, or 200 nM IP6K3, and unless otherwise indicated, 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

TargetInositol hexakisphosphate kinase 2(Human)
University of North Carolina at Chapel Hill

US Patent
LigandPNGBDBM739871(US20250154115, Compound 79)
Affinity DataIC50: 550nMAssay Description:Enzyme activity was assayed at 37° C. in 50 μL reaction mixtures containing 100 nM IP6K1 or IP6K2, or 200 nM IP6K3, and unless otherwise indicated, 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

TargetInositol hexakisphosphate kinase 1(Human)
University of North Carolina at Chapel Hill

US Patent
LigandPNGBDBM739871(US20250154115, Compound 79)
Affinity DataIC50: 550nMAssay Description:Enzyme activity was assayed at 37° C. in 50 μL reaction mixtures containing 100 nM IP6K1 or IP6K2, or 200 nM IP6K3, and unless otherwise indicated, 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

TargetInositol polyphosphate multikinase(Human)
University of North Carolina at Chapel Hill

US Patent
LigandPNGBDBM739871(US20250154115, Compound 79)
Affinity DataIC50: 5.05E+4nMAssay Description:Enzyme activity was assayed at 37° C. in 50 μL reaction mixtures containing 100 nM IP6K1 or IP6K2, or 200 nM IP6K3, and unless otherwise indicated, 5...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent