BDBM50605476 CHEMBL5190343

SMILES OC(=O)c1ccc2noc(-c3ccc(cc3)-c3ccccc3)c2c1

InChI Key InChIKey=FGCSKRKOSIKUGT-UHFFFAOYSA-N

Data  6 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50605476   

TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins School of Medicine

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of IP6K1 (unknown origin) using IP6 as substrate incubated for 30 mins in presence of ATP by ADPGlo enzymatic assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 2(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 4.90nMAssay Description:Inhibition of N-terminal 6His-tagged/TEV cleavage site fused recombinant human IP6K2 expressed in Escherichia coli assessed as inhibition of [3H]-Ins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins School of Medicine

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 8.90nMAssay Description:Inhibition of N-terminal 6His-MBP-tagged recombinant human IP6K1 expressed in Escherichia coli assessed as inhibition of [3H]-InsP6 phosphorylation m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetInositol polyphosphate multikinase(Human)
University of North Carolina at Chapel Hill

US Patent
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
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
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
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
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins School of Medicine

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
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
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins School of Medicine

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 57nMAssay 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
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataKd:  74nMAssay Description:Binding affinity to MBP-tagged recombinant human IP6K2 at 400 uM by isothermal titration calorimetryMore 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
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 94nMAssay 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
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 240nMAssay 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 3(Human)
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
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
In Depth
Date in BDB:
9/15/2025
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50605476(CHEMBL5190343 | US20250154115, Compound 20)
Affinity DataIC50: 1.32E+3nMAssay Description:Inhibition of N-terminal 6His-sumo-tagged recombinant human IP6K3 expressed in Escherichia coli assessed as inhibition of [3H]-InsP6 phosphorylation ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed