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BDBM50161083 11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1.0~2,7~]trideca-2,4-diene iodide::CHEMBL181840

SMILES: C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2

InChI Key: InChIKey=QTCHKCVTZGJHQN-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50161083   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human))
BDBM50161083
PNG
(11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...)
Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3|
Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 41n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in K-177 cells expressing acetylcholine central neuronal receptor alpha4-beta2 subunits


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain


(Homo sapiens (Human))
BDBM50161083
PNG
(11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...)
Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3|
Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 37n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Change in membrane potential in TE-671 cells expressing acetylcholine neuromuscular receptors


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50161083
PNG
(11,11-dimethyl-6-oxo-7-aza-11-azoniatricyclo[7.3.1...)
Show SMILES C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3|
Show InChI InChI=1S/C13H19N2O/c1-15(2)8-10-6-11(9-15)12-4-3-5-13(16)14(12)7-10/h3-5,10-11H,6-9H2,1-2H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>100n/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Effective concentration in KXalpha-3-beta-4R2 cells expressing rat nicotinic acetylcholine receptor alpha3-beta4 subunits


Bioorg Med Chem Lett 15: 1221-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.073
BindingDB Entry DOI: 10.7270/Q2DJ5GVR
More data for this
Ligand-Target Pair