BDBM96720 5-(2-Cyclohex-1-enyl-ethyl)-1-(2,5-dimethyl-phenyl)-[1,3,5]triazinane-2-thione::5-[2-(1-cyclohexenyl)ethyl]-1-(2,5-dimethylphenyl)-1,3,5-triazinane-2-thione::5-[2-(cyclohexen-1-yl)ethyl]-1-(2,5-dimethylphenyl)-1,3,5-triazinane-2-thione::MLS000769887::SMR000434620::cid_950930

SMILES Cc1nc(C#N)cc(Nc2cc(CCc3cc(NC(=O)N4CCC5(CCCC5)CC4)ccc3C)n[nH]2)n1

InChI Key InChIKey=HHMQCIUDGARMHE-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 96720   

TargetTyrosine-protein kinase Fyn(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 96720BDBM96720(N-(3-(2-(5-((6-cyano-2-methylpyrimidin-4-yl)amino)...)
Affinity DataIC50: 2nMAssay 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