BDBM50605510 CHEMBL5203174::US20250197396, Compound 2a

SMILES OC(=O)c1ccc2NC(=O)C3(CCN(CC3)C(=O)c3ccc(Cl)cc3)c2c1

InChI Key InChIKey=NBNDZHLPEOMAMK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50605510   

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

Curated by ChEMBL
LigandPNGBDBM50605510(CHEMBL5203174 | US20250197396, Compound 2a)
Affinity DataIC50: 25nMAssay Description:Inhibition of recombinant full length human IP6K2 assessed as inorganic phosphate release measured after 30 mins by ADP-Glo Max assayMore 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
LigandPNGBDBM50605510(CHEMBL5203174 | US20250197396, Compound 2a)
Affinity DataIC50: 27nMAssay Description:Inhibition of recombinant full length human IP6K1 assessed as inorganic phosphate release measured after 30 mins by ADP-Glo Max assayMore 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
LigandPNGBDBM50605510(CHEMBL5203174 | US20250197396, Compound 2a)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant full length human IP6K3 assessed as inorganic phosphate release measured after 2 hrs by ADP-Glo Max assayMore 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
LigandPNGBDBM50605510(CHEMBL5203174 | US20250197396, Compound 2a)
Affinity DataIC50: 300nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2025
Entry Details
Go to US Patent