BDBM83730 (2S,3S)-2-(1-adamantylcarbonyl)-5-azanyl-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile::(2S,3S)-2-(adamantane-1-carbonyl)-5-amino-3-(4-pyridyl)-2,3-dihydrothiophene-4-carbonitrile::(2S,3S)-2-(adamantane-1-carbonyl)-5-amino-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile::(2S,3S)-2-[1-adamantyl(oxo)methyl]-5-amino-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile::MLS000038294::SMR000041645::cid_660930

SMILES O=C(CCn1cnc2c(c1=O)CCCc1ccccc1-2)N1CCN(c2cccc(C(F)(F)F)c2)CC1

InChI Key

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 = 83730   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83730BDBM83730(US20250388584, Example 221)
Affinity DataEC50:  1.65E+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