BDBM83459 MLS002724420::N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-(1-naphthalenyl)ethyl]amino]propyl]-1,2,4-triazole-3-carboxamide::N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-(1-naphthyl)ethyl]amino]propyl]-1,2,4-triazole-3-carboxamide::N-(3,4-dimethylphenyl)-1-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]propyl]-1,2,4-triazole-3-carboxamide::SMR001595286::cid_45281074

SMILES O=C(O)CCC(=O)OCCN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

InChI Key InChIKey=UVZFUWVYPXPUBZ-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 = 83459   

TargetThiamine pyrophosphokinase 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83459BDBM83459(US20250388584, Example 199)
Affinity DataEC50:  490nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent