BDBM83736 (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::(3Z)-5-homoveratryl-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one::MLS000084109::SMR000047162::cid_5389982

SMILES Cc1ccc2c(c1)N1CCCC(C(=O)NCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)C1CO2

InChI Key InChIKey=YBNWPCLPVYNQSD-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83736   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83736BDBM83736(US20250388584, Example 232)
Affinity DataEC50:  1.81E+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