BDBM80526 1-[2-Acetoxy-3-(1,7,7-trimethyl-bicyclo[2.2.1]hept-2-yloxy)-propyl]-1-methyl-piperidinium::MLS000333810::SMR000440175::[1-(1-methylpiperidin-1-ium-1-yl)-3-[[(1S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]propan-2-yl] acetate;iodide::[1-(1-methylpiperidin-1-ium-1-yl)-3-[[(1S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]propan-2-yl] ethanoate;iodide::acetic acid [1-(1-methyl-1-piperidin-1-iumyl)-3-[[(1S,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl]oxy]propan-2-yl] ester;iodide::acetic acid [1-[(1-methylpiperidin-1-ium-1-yl)methyl]-2-[(1S,4S)-1,7,7-trimethylnorbornan-2-yl]oxy-ethyl] ester;iodide::cid_16682563

SMILES CC(=O)OC(COC1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1

InChI Key InChIKey=WHHNUCWBERIXGW-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 80526   

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

Curated by PubChem BioAssay
LigandPNGBDBM80526(MLS000333810 | cid_16682563 | SMR000440175 | 1-[2-...)
Affinity DataIC50: 1.91E+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-3G(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80526(MLS000333810 | cid_16682563 | SMR000440175 | 1-[2-...)
Affinity DataIC50: 3.55E+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