BDBM237 1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]indole;hydroiodide::1,2,5-trimethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole;hydroiodide::1,2,5-trimethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole;hydroiodide::1,2,5-trimethyl-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole;iodide::MLS-0327351.0001::cid_44620975::sodium chloride

SMILES Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C

InChI Key InChIKey=CPUFILKHDXQMHG-UHFFFAOYSA-N

Data  4 IC50  1 EC50

PDB links: 2334 PDB IDs match this monomer.

  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 5 hits for monomerid = 237   

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

Curated by PubChem BioAssay
LigandPNGBDBM237(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Affinity DataIC50:  1.47E+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
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM237(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Affinity DataEC50:  1.73E+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
In DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM237(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Affinity DataIC50:  548nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetG-protein coupled receptor 55(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM237(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Affinity DataIC50:  462nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics(SSBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM237(1,2,5-trimethyl-3-[(E)-2-(1-methyl-4-pyridin-1-ium...)
Affinity DataIC50:  1.80E+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
In DepthDetails PCBioAssay