BDBM739858 US20250154115, Compound 66

SMILES c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)OC(F)(F)F

InChI Key InChIKey=OPRMMWAPDMWRES-UHFFFAOYSA-N

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 = 739858   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 739858BDBM739858(US20250154115, Compound 66)
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 739858BDBM739858(US20250154115, Compound 66)
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 739858BDBM739858(US20250154115, Compound 66)
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 739858BDBM739858(US20250154115, Compound 66)
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