BDBM61351 1-[2-(acetyloxy)-2-phenylethyl]-1-methylazepanium::MLS001196933::SMR000555824::[2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ethanoate;iodide::[2-(1-methylazepan-1-ium-1-yl)-1-phenylethyl] acetate;iodide::acetic acid [2-(1-methyl-1-azepan-1-iumyl)-1-phenylethyl] ester;iodide::acetic acid [2-(1-methylazepan-1-ium-1-yl)-1-phenyl-ethyl] ester;iodide::cid_24761196

SMILES CC(=O)OC(C[N+]1(C)CCCCCC1)c1ccccc1

InChI Key InChIKey=TWZTWUWHHWIWNW-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 61351   

TargetDNA dC->dU-editing enzyme APOBEC-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61351(SMR000555824 | cid_24761196 | 1-[2-(acetyloxy)-2-p...)
Affinity DataIC50: 2.40E+3nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetDNA dC->dU-editing enzyme APOBEC-3A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61351(SMR000555824 | cid_24761196 | 1-[2-(acetyloxy)-2-p...)
Affinity DataIC50: 2.79E+3nMT: 2°CAssay 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:
8/3/2011
Entry Details
PCBioAssay
TargetPolyadenylate-binding protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61351(SMR000555824 | cid_24761196 | 1-[2-(acetyloxy)-2-p...)
Affinity DataIC50: 9.62E+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:
7/9/2011
Entry Details
PCBioAssay
TargetEukaryotic translation initiation factor 4H(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61351(SMR000555824 | cid_24761196 | 1-[2-(acetyloxy)-2-p...)
Affinity DataIC50: 1.00E+5nMAssay 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:
7/9/2011
Entry Details
PCBioAssay