BDBM114940 US12514858, Example 34

SMILES O=C(N[C@H]1CC[C@H](O)CC1)c1ccnc(-n2ccnc2)n1

InChI Key InChIKey=JIYVJNOAIJIYBK-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 = 114940   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 114940BDBM114940(US12514858, Example 34)
Affinity DataIC50: 25.7nMAssay 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