BDBM50605489 CHEMBL5201078::US20250154115, Compound 58

SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccncc3)c2c1

InChI Key InChIKey=JUGPLHHOVRZBPQ-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50605489   

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

Curated by ChEMBL
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 170nMAssay Description:Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 2(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 150nMAssay Description:Inhibition of N-terminal 6His-tagged/TEV cleavage site fused recombinant human IP6K2 expressed in Escherichia coli assessed as inorganic phosphate re...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 670nMAssay Description:Inhibition of N-terminal 6His-sumo-tagged recombinant human IP6K3 expressed in Escherichia coli assessed as inorganic phosphate release using InsP6 a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 1(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 550nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2025
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 550nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2025
Entry Details
Go to US Patent

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

Curated by ChEMBL
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 550nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2025
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM50605489(CHEMBL5201078 | US20250154115, Compound 58)
Affinity DataIC50: 55nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2025
Entry Details
Go to US Patent