BDBM54298 (2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methylidene]-1,3-benzothiazole;iodide::(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylene]-1,3-benzothiazole;iodide::(2Z)-3-butyl-2-[(1-ethylquinolin-1-ium-2-yl)methylidene]-1,3-benzothiazole;iodide::MLS000678050::SMR000285913::cid_16188269

SMILES CCCCN1\C(Sc2ccccc12)=C\c1ccc2ccccc2[n+]1CC

InChI Key InChIKey=YSQZXXQOIHGWIS-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 54298   

TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54298((2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Affinity DataIC50: 1.95E+3nMAssay 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
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54298((2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Affinity DataIC50: 1.96E+3nMAssay 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
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54298((2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Affinity DataEC50:  2.17E+3nMAssay 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
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetMitochondrial import inner membrane translocase subunit TIM10(Baker's yeast)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54298((2Z)-3-butyl-2-[(1-ethyl-2-quinolin-1-iumyl)methyl...)
Affinity DataIC50: 1.92E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay