BDBM114919 US12514858, Example 14

SMILES COCCO[C@H]1CC[C@H](NC(=O)c2cc(-c3c(C)nn(C)c3C)cc(-n3ccnc3)n2)CC1

InChI Key InChIKey=NKOBZYBEXFOYQJ-UHFFFAOYSA-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 = 114919   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 114919BDBM114919(US12514858, Example 14)
Affinity DataIC50: 24nMAssay 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