BDBM83463 (-)-Metazocine fumarate (2:1)::MLS002320713::SMR001338859::cid_45479833

SMILES O=C1CCc2ccc(OCCCCCN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)cc2N1

InChI Key InChIKey=YGSVZRIZCHZUHB-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83463   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83463BDBM83463(US20250388584, Example 206)
Affinity DataEC50:  1.45E+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