BDBM114731 6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile::6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylthio]-3-pyridinecarbonitrile::6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylthio]nicotinonitrile::6-methyl-2-{[(5-methyl-1H-benzimidazol-2-yl)methyl]sulfanyl}nicotinonitrile::MLS000537226::SMR000160405::cid_7304501

SMILES CCC(c1ncccn1)N(C)c1nc2c(c(C#N)nn2C(C)c2ccc(C(F)(F)F)cc2)c(=O)[nH]1

InChI Key InChIKey=UJMMTOFYGMTFAD-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 = 114731   

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 114731BDBM114731(6-[methyl(1- pyrimidin-2- ylpropyl)amino]- 4-oxo-1...)
Affinity DataKi:  2.82nMAssay 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