BDBM83419 2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;bromide::2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;bromide::5-(2-Benzoyloxy-ethyl)-3-[2-(4-bromo-phenyl)-2-oxo-ethyl]-4-methyl-thiazol-3-ium::MLS001217375::SMR000611264::benzoic acid 2-[3-[2-(4-bromophenyl)-2-keto-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester;bromide::benzoic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester;bromide::cid_2884069

SMILES Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc3c2c1

InChI Key InChIKey=RYFMZKGLZNJNBB-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83419   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83419BDBM83419(3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]in...)
Affinity DataEC50:  1.38E+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