BDBM78808 2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone;bromide::2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-ium-1-yl]-1-phenylethanone;bromide::2-[4-[2-[(4-fluorophenyl)thio]ethyl]-1-pyridin-1-iumyl]-1-phenylethanone;bromide::2-[4-[2-[(4-fluorophenyl)thio]ethyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone;bromide::4-{2-[(4-fluorophenyl)thio]ethyl}-1-(2-oxo-2-phenylethyl)pyridinium::MLS000722811::SMR000304807::cid_2827177

SMILES Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1

InChI Key InChIKey=OLCUXBBVEMVPJU-UHFFFAOYSA-N

Data  3 IC50

  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 3 hits for monomerid = 78808   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78808(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Affinity DataIC50:  1.46E+3nMAssay 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 DepthDetails PCBioAssay
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78808(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Affinity DataIC50:  1.02E+3nMAssay 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 DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78808(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Affinity DataIC50:  5.20E+3nMAssay 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 DepthDetails PCBioAssay