BDBM50647701 CHEMBL5598366::US20250346572, Example 47

SMILES CCNC(=O)c1ccc2c(c1)[C@]1(CC[C@H](Oc3ccccn3)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 = 50647701   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 50647701BDBM50647701(CHEMBL5598366 | US20250346572, Example 47)
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 50647701BDBM50647701(CHEMBL5598366 | US20250346572, Example 47)
Affinity DataIC50: 610nMAssay 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