BDBM83431 MLS001148297::N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenyl-butyramide::N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-3-phenylbutanamide::N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-[2-(1-cyclohexenyl)ethyl]-3-phenylbutanamide::N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-[2-(cyclohexen-1-yl)ethyl]-3-phenyl-butanamide::SMR000712027::cid_24687019

SMILES O=C(CCn1cnc2c(sc3ccccc32)c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

InChI Key InChIKey=JJEUHHOBVBKNGG-UHFFFAOYSA-N

Data  1 EC50

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

Found 1 hit for monomerid = 83431   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83431BDBM83431(US20250388584, Example 144)
Affinity DataEC50:  1.96E+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