BDBM33081 2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methyl-amino]ethanol::2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol::2-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-2,1,3-benzoxadiazol-5-yl]-methylamino]ethanol::2-[[7-(1,3-benzothiazol-2-ylthio)-4-nitro-benzofurazan-5-yl]-methyl-amino]ethanol::MLS000520995::SMR000131404::cid_9550611

SMILES CN(CCO)c1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O

InChI Key InChIKey=LQRYDNVTECZQPF-UHFFFAOYSA-N

Data  6 IC50  3 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 = 33081   

TargetToll-like receptor 9(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM33081(2-[[7-(1,3-benzothiazol-2-ylsulfanyl)-4-nitro-2,1,...)
Affinity DataIC50:  4.63E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay