BDBM114950 US12514858, Example 42

SMILES Cc1cc(C(=O)N[C@H]2CC[C@H](OC(F)F)CC2)nc(-n2ccnc2)n1

InChI Key InChIKey=IKWDQFXTGRDQGF-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 = 114950   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 114950BDBM114950(US12514858, Example 42)
Affinity DataIC50: 4.80nMAssay 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