BDBM83412 MLS001175244::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(6-methoxy-2-naphthalenyl)propanamide::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(6-methoxy-2-naphthyl)propionamide::N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide::SMR000592002::cid_16260203

SMILES Cc1ccc2[nH]c3c(=O)n(CCCCN4CCN(c5cccc(C(F)(F)F)c5)CC4)cnc3c2c1

InChI Key InChIKey=XFYTYUXTEZXNGI-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 = 83412   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83412BDBM83412(3-(8-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]in...)
Affinity DataEC50:  1.06E+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