BDBM128227 (E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N,N-dimethyl-ethenamine::(E)-2-[3-[(4-chlorophenyl)methylsulfanyl]-6-methyl-1,2,4-triazin-5-yl]-N,N-dimethylethenamine::(E)-2-[3-[(4-chlorophenyl)methylthio]-6-methyl-1,2,4-triazin-5-yl]-N,N-dimethylethenamine::(E)-2-{3-[(4-chlorobenzyl)sulfanyl]-6-methyl-1,2,4-triazin-5-yl}-N,N-dimethyl-1-ethenamine::MLS000721513::SMR000337144::[(E)-2-[3-[(4-chlorobenzyl)thio]-6-methyl-1,2,4-triazin-5-yl]vinyl]-dimethyl-amine::cid_6404717

SMILES N#Cc1c(O[C@@H](c2ccncc2)c2ccc(C(N)=O)cc2)ccc2c1OCCC2=O

InChI Key InChIKey=RHBYHXLJTKFAOR-UHFFFAOYSA-N

Data  1 IC50  1 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 1 hit for monomerid = 128227   

TargetHLA-DR4 protein(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 128227BDBM128227((*R)-4-(((8-cyano-4-oxochroman-7-yl)oxy)(pyridin-4...)
Affinity DataIC50: 470nMAssay 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:
5/18/2026
Entry Details
US Patent