BDBM50647669 CHEMBL5596564::US20250346572, Example 4

SMILES CC(=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 = 50647669   

TargetInositol hexakisphosphate kinase 1(Human)
Lieber Institute, Inc.; The Johns Hopkins University

US Patent
LigandChemical structure of BindingDB Monomer ID 50647669BDBM50647669(CHEMBL5596564 | US20250346572, Example 4)
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

TargetInositol hexakisphosphate kinase 1(Human)
Lieber Institute, Inc.; The Johns Hopkins University

US Patent
LigandChemical structure of BindingDB Monomer ID 50647669BDBM50647669(CHEMBL5596564 | US20250346572, Example 4)
Affinity DataIC50: 1.00E+3nMAssay 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