BDBM51901 1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymethyl-3H-benzoimidazol-1-ium::2-[3-methyl-2-[(2-methylphenoxy)methyl]-1-benzimidazol-3-iumyl]acetic acid decyl ester;chloride::2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetic acid decyl ester;chloride::MLS001209891::SMR000505014::cid_23724261::decyl 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]acetate;chloride::decyl 2-[3-methyl-2-[(2-methylphenoxy)methyl]benzimidazol-3-ium-1-yl]ethanoate;chloride

SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12

InChI Key InChIKey=SNXRLNOWMDKBQR-UHFFFAOYSA-N

Data  4 IC50  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 51901   

LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataEC50:  1.02E+3nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataEC50:  3.00E+4nMAssay Description:University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...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
LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataIC50: >2.00E+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 DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataIC50:  1.21E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataIC50:  8.53E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDelta-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM51901(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Affinity DataEC50: >9.25E+4nMAssay 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