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BDBM50143304 3-(1-methylpyrrolidin-2-yl)-1-[6-(3-(1-methylpyrrolidin-2-yl)pyridinium-1-yl)tetradecyl]pyridinium; Dibromide::CHEMBL54826

SMILES: CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1

InChI Key: InChIKey=XTJHNJARPZHDSR-HEVIKAOCSA-N

Data: 1 KI  1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143304   
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


(Rattus norvegicus (Rat))
BDBM50143304
PNG
(3-(1-methylpyrrolidin-2-yl)-1-[6-(3-(1-methylpyrro...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C34H56N4/c1-35-23-17-21-33(35)31-19-15-27-37(29-31)25-13-11-9-7-5-3-4-6-8-10-12-14-26-38-28-16-20-32(30-38)34-22-18-24-36(34)2/h15-16,19-20,27-30,33-34H,3-14,17-18,21-26H2,1-2H3/q+2/t33-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.95E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50143304
PNG
(3-(1-methylpyrrolidin-2-yl)-1-[6-(3-(1-methylpyrro...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C34H56N4/c1-35-23-17-21-33(35)31-19-15-27-37(29-31)25-13-11-9-7-5-3-4-6-8-10-12-14-26-38-28-16-20-32(30-38)34-22-18-24-36(34)2/h15-16,19-20,27-30,33-34H,3-14,17-18,21-26H2,1-2H3/q+2/t33-,34-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair