BDBM83733 3-cyclohexyl-6-(2,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::6-asaryl-3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::MLS000041171::SMR000044046::cid_663341

SMILES Cc1ccc2c(c1)-c1ncn(CCC(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(=O)c1CC2

InChI Key InChIKey=SMXDSFKCGCQAEX-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83733   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83733BDBM83733(US20250388584, Example 225)
Affinity DataEC50:  930nMAssay 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