BDBM83404 3-(3-(4-(3,5-bis(trifluoromethyl)phenyl)piperazin-1-yl)-3-oxopropyl)-8-methyl-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one ::US20250388584, Example 16

SMILES Cc1ccc2[nH]c3c(=O)n(CCC(=O)N4CCN(c5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC4)cnc3c2c1

InChI Key InChIKey=JNNXNWFQXLOYKS-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 = 83404   

TargetThiamine pyrophosphokinase 1(Human)
Shanghai Raising Pharmaceutical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 83404BDBM83404(3-(3-(4-(3,5-bis(trifluoromethyl)phenyl)piperazin-...)
Affinity DataEC50:  360nMAssay 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