BindingDB logo
myBDB logout

BDBM80505 (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) benzoate;bromide::3-(benzoyloxy)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane::MLS000766744::SMR000339640::benzoic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester;bromide::cid_16195076

SMILES: [H]C12CCC([H])(CC(C1)OC(=O)c1ccccc1)[N+]2(C)C

InChI Key: InChIKey=ZWBSKLBCHZUQHL-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80505   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM80505
PNG
((8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) be...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.75E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80505
PNG
((8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) be...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1ccccc1
Show InChI InChI=1S/C16H22NO2/c1-17(2)13-8-9-14(17)11-15(10-13)19-16(18)12-6-4-3-5-7-12/h3-7,13-15H,8-11H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.96E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair