BDBM83413 2-(aminocarbonylamino)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenyl-propanamide::2-(carbamoylamino)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide::MLS001172890::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenyl-2-ureido-propionamide::SMR000589182::cid_4830308

SMILES Cc1ccc2[nH]c3c(=O)n(CCCN4CCN(c5cccc(Cl)c5Cl)CC4)cnc3c2c1

InChI Key InChIKey=ZRJSXSSAXYDJHP-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 = 83413   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83413BDBM83413(N-(3-hydroxybenzyl)-3-(8-methyl-4-oxo-4,5-dihydro-...)
Affinity DataEC50:  1.28E+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