BDBM48087 3-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate::3-[2-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate::3-[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate::3-[2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate::MLS000401495::SMR000243228::cid_6235585

SMILES COc1cc(\C=C\c2sc3ccccc3[n+]2CCCS([O-])(=O)=O)ccc1O

InChI Key InChIKey=UJJHEUVQCGDQCV-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 2 hits for monomerid = 48087   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48087(3-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-...)
Affinity DataIC50:  1.91E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails PCBioAssay
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48087(3-[2-[(E)-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-...)
Affinity DataEC50:  1.41E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails PCBioAssay