BDBM96695 2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]ethanamide::2-(2,4-dimethylphenyl)sulfanyl-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]acetamide::2-[(2,4-dimethylphenyl)sulfanyl]-N-[3-fluoro-4-(4-methylpiperazino)phenyl]acetamide::2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]acetamide::2-[(2,4-dimethylphenyl)thio]-N-[3-fluoro-4-(4-methylpiperazino)phenyl]acetamide::MLS000721637::SMR000335942::cid_4416228

SMILES Cc1cnc(Nc2cc(CCc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3F)n[nH]2)c(C)n1

InChI Key InChIKey=VGJLNUWAZCMSLC-UHFFFAOYSA-N

Data  2 IC50  2 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 2 hits for monomerid = 96695   

TargetVascular endothelial growth factor receptor 2(Human)
Rottapharm Biotech

US Patent
LigandChemical structure of BindingDB Monomer ID 96695BDBM96695(N-(3-(2-(5-((3,5-dimethylpyrazin-2-yl)amino)-1H-py...)
Affinity DataIC50: 10nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2026
Entry Details
US Patent

TargetTyrosine-protein kinase Fyn(Human)
Rottapharm Biotech

US Patent
LigandChemical structure of BindingDB Monomer ID 96695BDBM96695(N-(3-(2-(5-((3,5-dimethylpyrazin-2-yl)amino)-1H-py...)
Affinity DataIC50: 31nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2026
Entry Details
US Patent