BDBM114805 4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione::4-amino-2-[2-(2-fluorophenoxy)ethyl]isoindoline-1,3-quinone::4-azanyl-2-[2-(2-fluoranylphenoxy)ethyl]isoindole-1,3-dione::MLS001174542::SMR000589780::cid_2092383

SMILES C[C@H](C1C=NC(C(F)(F)F)=CC1)n5nc(C#N)c4C(=O)NC(CCC3=NCC(C2CC2)C=N3)Nc45

InChI Key InChIKey=ILAVPZWPAIWSBL-UHFFFAOYSA-N

Data  2 EC50

  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 = 114805   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 114805BDBM114805(US20260001888, Example 81)
Affinity DataKi:  0.5nMAssay 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:
5/13/2026
Entry Details
US Patent