BDBM66799 MLS001175203::N-[2,4-dinitro-3-(tosylmethyl)phenyl]acetamide::N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitro-phenyl]ethanamide::N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitrophenyl]acetamide::SMR000596485::cid_4051043

SMILES CC(=O)Nc1ccc(c(CS(=O)(=O)c2ccc(C)cc2)c1[N+]([O-])=O)[N+]([O-])=O

InChI Key InChIKey=DMOKNIISTHCWCX-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 2 hits for monomerid = 66799   

TargetIsoform A of Ketohexokinase (Peripheral)(Human)
Eli Lilly

US Patent
LigandChemical structure of BindingDB Monomer ID 66799BDBM66799([(3R,4S)-3,4-Dihydroxypyrrolidin-1-yl]-[4-{2-[(2S)...)
Affinity DataIC50: 12.7nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2026
Entry Details US Patent

TargetKetohexokinase(Human)
Eli Lilly

US Patent
LigandChemical structure of BindingDB Monomer ID 66799BDBM66799([(3R,4S)-3,4-Dihydroxypyrrolidin-1-yl]-[4-{2-[(2S)...)
Affinity DataIC50: 23.1nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2026
Entry Details US Patent