BDBM114772 (2Z)-2-(phenylhydrazinylidene)-1-benzothiophen-3-one::(2Z)-2-(phenylhydrazono)benzothiophen-3-one::2-(Phenyl-hydrazono)-benzo[b]thiophen-3-one::MLS000777106::SMR000413502::cid_5419037

SMILES CC(c1ccc(C(F)(F)F)nc1)n1nc(C#N)c2c(=O)[nH]c(N3CCC3c3ccc(F)cc3)nc21

InChI Key InChIKey=NINPOLKSNFCLDI-UHFFFAOYSA-N

Data  2 IC50  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 = 114772   

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 114772BDBM114772(6-[2-(4- fluorophenyl) azetidin-1-yl]-4- oxo-1-[1-...)
Affinity DataKi:  6.70nMAssay 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