BDBM83414 MLS001166838::N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenyl-1-piperazinyl)ethyl]carbamic acid methyl ester::N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazino)ethyl]carbamic acid methyl ester::SMR000641522::cid_18574678::methyl N-[2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]carbamate

SMILES O=C(CCn1cnc2c([nH]c3ccc(C(F)(F)F)cc32)c1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

InChI Key InChIKey=RTVQIILSEFKREF-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 = 83414   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83414BDBM83414(methyl 3-((3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimi...)
Affinity DataEC50:  1.58E+3nMAssay 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