BDBM83400 (2,4-Dimethoxy-3-methyl-benzyl)-[2-(1H-indol-3-yl)-ethyl]-amine::(2,4-dimethoxy-3-methyl-benzyl)-[2-(1H-indol-3-yl)ethyl]amine;oxalic acid::MLS001205297::N-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-2-(1H-indol-3-yl)ethanamine;ethanedioic acid::N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(1H-indol-3-yl)ethanamine;oxalic acid::SMR000516110::cid_17367616

SMILES Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5ccc(C(F)(F)F)cc5)CC4)cnc3c2c1

InChI Key InChIKey=DASAVKVTDCTWDV-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 = 83400   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83400BDBM83400(8-methyl-3-(3-oxo-3-(4-(4-(trifluoromethyl)phenyl)...)
Affinity DataEC50:  1.15E+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