BDBM83730 US20250388584, Example 221

SMILES O=C(CCn1cnc2c(c1=O)CCCc1ccccc1-2)N1CCN(c2cccc(C(F)(F)F)c2)CC1

InChI Key InChIKey=GNAFGPZXDACSIB-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 = 83730   

TargetThiamine pyrophosphokinase 1(Human)
Shanghai Raising Pharmaceutical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 83730BDBM83730(US20250388584, Example 221)
Affinity DataEC50:  1.65E+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