BDBM114742 (5Z)-5-(1H-indol-3-ylmethylene)-2-(methylthio)-2-imidazolin-4-one::(5Z)-5-(1H-indol-3-ylmethylidene)-2-(methylthio)-1H-imidazol-4-one::(5Z)-5-(1H-indol-3-ylmethylidene)-2-methylsulfanyl-1H-imidazol-4-one::5-(1H-indol-3-ylmethylene)-2-(methylsulfanyl)-3,5-dihydro-4H-imidazol-4-one::MLS000700869::SMR000231390::cid_5471247

SMILES CC(c1ccc(C(F)(F)F)nc1)n1nc(C#N)c2c(=O)[nH]c(N(C)C(c3ncccn3)C3CC3)nc21

InChI Key InChIKey=MRDGQLKPAZJMQY-UHFFFAOYSA-N

Data  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 114742   

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 114742BDBM114742(6-[[cyclo- propyl(pyrimidin- 2- yl)methyl]- methyl...)
Affinity DataKi:  4.08nMAssay 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