BDBM739856 US20250154115, Compound 64

SMILES FC(F)(F)c4ccc(c2onc3ccc(c1nnn[nH]1)cc23)cc4

InChI Key

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 739856   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 739856BDBM739856(US20250154115, Compound 64)
Affinity DataIC50: 55nMAssay 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 sidPDB
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent
PDB3D3D Structure (crystal)
TargetInositol hexakisphosphate kinase 2(Human)
University of North Carolina at Chapel Hill

US Patent
LigandChemical structure of BindingDB Monomer ID 739856BDBM739856(US20250154115, Compound 64)
Affinity DataIC50: 55nMAssay 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 sidPDB
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
LigandChemical structure of BindingDB Monomer ID 739856BDBM739856(US20250154115, Compound 64)
Affinity DataIC50: 55nMAssay 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 sidPDB
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 739856BDBM739856(US20250154115, Compound 64)
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 sidPDB
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent