BDBM128228 (E)-1-(2,5-dichlorophenyl)-3-[4-(difluoromethylsulfanyl)anilino]-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate::(E)-1-(2,5-dichlorophenyl)-3-[4-(difluoromethylthio)anilino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate::(E)-1-(2,5-dichlorophenyl)-3-[4-(difluoromethylthio)anilino]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate::(E)-1-[2,5-bis(chloranyl)phenyl]-3-[[4-[bis(fluoranyl)methylsulfanyl]phenyl]amino]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate::MLS001006684::SMR000349628::cid_16195927

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

InChI Key InChIKey=NLKBMPCLHRUFGE-UHFFFAOYSA-N

Data  1 IC50  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 = 128228   

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

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 128228BDBM128228((*S)-4-(((8-cyano-4-oxochroman-7-yl)oxy)(pyridin-4...)
Affinity DataIC50: 450nMAssay 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