BDBM83731 3-cyclohexyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole::MLS000081195::SMR000043141::cid_662408

SMILES O=c1c2c(ncn1CCCN1CCN(c3cccc(Cl)c3Cl)CC1)-c1ccccc1CCC2

InChI Key InChIKey=VRVMAUYZMWAGEO-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83731   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83731BDBM83731(US20250388584, Example 222)
Affinity DataEC50:  500nMAssay 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