BDBM83452 US20250388584, Example 190

SMILES O=C1Cc2ccc(OCCCN3c4ccccc4Sc4ccccc43)cc2N1

InChI Key InChIKey=XQCUTUBFEBDYFO-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83452   

TargetThiamine pyrophosphokinase 1(Human)
Shanghai Raising Pharmaceutical Co.

US Patent
LigandChemical structure of BindingDB Monomer ID 83452BDBM83452(US20250388584, Example 190)
Affinity DataEC50:  1.11E+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