BDBM114796 US20260001888, Example 73

SMILES CCC(Nc1nc2c(c(C#N)nn2C(C)C2C=NC(C(F)(F)F)=CC2)c(=O)[nH]1)c1ncccn1

InChI Key InChIKey=OAWHNJFKJXBJJZ-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 114796   

TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 114796BDBM114796(US20260001888, Example 73)
Affinity DataKi:  0.25nMAssay 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