BDBM50647699 CHEMBL5597655::US20250346572, Example 16

SMILES CC(=O)CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ncc(Cl)cc3Cl)CC1)C(=O)N2

InChI Key

  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 2 hits for monomerid = 50647699   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50647699BDBM50647699(CHEMBL5597655 | US20250346572, Example 16)
Affinity DataIC50: 230nMAssay 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 50647699BDBM50647699(CHEMBL5597655 | US20250346572, Example 16)
Affinity DataIC50: 550nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
3/4/2026
Entry Details US Patent