BDBM50647685 CHEMBL5597913::US20250346572, Example 34

SMILES O=C1Nc2ccc(-c3nnn[nH]3)cc2[C@]12CC[C@H](Oc1ncc(Cl)cc1Cl)CC2

InChI Key

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50647685   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50647685BDBM50647685(CHEMBL5597913 | US20250346572, Example 34)
Affinity DataIC50: 7.90nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetInositol hexakisphosphate kinase 1(Human)
Johns Hopkins School of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50647685BDBM50647685(CHEMBL5597913 | US20250346572, Example 34)
Affinity DataIC50: 55nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
3/4/2026
Entry Details US Patent