BDBM83411 3-(6-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-(3-(trifluoromethyl)benzyl)propanamide ::US20250388584, Example 45

SMILES COc1cccc(N2CCN(C(=O)Cn3cnc4c([nH]c5ccc(C)cc54)c3=O)CC2)c1

InChI Key InChIKey=PMPGFFHGRQWOFK-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83411   

TargetThiamine pyrophosphokinase 1(Human)
Shanghai Raising Pharmaceutical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 83411BDBM83411(3-(6-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]in...)
Affinity DataEC50:  1.22E+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