BDBM96961 3,3-dimethylbutanoic acid [(Z)-[amino(2-pyridinyl)methylidene]amino] ester::3,3-dimethylbutyric acid [(Z)-[amino(2-pyridyl)methylene]amino] ester::MLS000579269::N'-[(3,3-dimethylbutanoyl)oxy]-2-pyridinecarboximidamide::SMR000198549::[(Z)-[amino(pyridin-2-yl)methylidene]amino] 3,3-dimethylbutanoate::[(Z)-[azanyl(pyridin-2-yl)methylidene]amino] 3,3-dimethylbutanoate::cid_9587473

SMILES COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nnc(OCc2ccc(F)cn2)s1

InChI Key InChIKey=SYYARHZLNPPQMA-UHFFFAOYSA-N

Data  1 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 = 96961   

TargetDNA polymerase theta [1-899](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96961BDBM96961(N-[5-[(5-fluoropyridin-2-yl)methoxy]- 1,3,4-thiadi...)
Affinity DataIC50: 200nMAssay 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:
5/11/2026
Entry Details
US Patent