BDBM114958 US12514858, Example 50

SMILES [2H]c1nc([2H])n(-c2nc(C)cc(C(=O)N[C@H]3CC[C@H](OCCOC)CC3)n2)c1[2H]

InChI Key InChIKey=XXOZSVPYPBZUFG-MEOJYOQJSA-N

Data  1 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 1 hit for monomerid = 114958   

TargetADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1(Human)
Astellas Engineered Small Molecules US

US Patent
LigandChemical structure of BindingDB Monomer ID 114958BDBM114958(US12514858, Example 50)
Affinity DataIC50: 14nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/18/2026
Entry Details
US Patent