BDBM83725 2-[2-methyl-1-[1-(tosylmethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline::2-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]-1,2,3,4-tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline::2-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]propyl]-3,4-dihydro-1H-isoquinoline::2-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline::2-{2-Methyl-1-[1-(toluene-4-sulfonylmethyl)-1H-tetrazol-5-yl]-propyl}-1,2,3,4-tetrahydro-isoquinoline::MLS000032485::SMR000003740::cid_654651

SMILES Cc1ccc2c(c1)-c1ncn(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c1CC2

InChI Key InChIKey=KXNUISJJBNGNMP-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83725   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83725BDBM83725(US20250388584, Example 215)
Affinity DataEC50:  1.13E+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