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BDBM50119792 1,11-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyridiniumyl]undecane; with dibromide ions::CHEMBL105342

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

InChI Key: InChIKey=YTZIIYWGVZWZQQ-CONSDPRKSA-N

Data: 2 KI

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

Found 2 hits for monomerid = 50119792   
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))
BDBM50119792
PNG
(1,11-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyr...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C31H50N4/c1-32-20-14-18-30(32)28-16-12-24-34(26-28)22-10-8-6-4-3-5-7-9-11-23-35-25-13-17-29(27-35)31-19-15-21-33(31)2/h12-13,16-17,24-27,30-31H,3-11,14-15,18-23H2,1-2H3/q+2/t30-,31-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
430n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity for nicotinic acetylcholine receptor alpha4-beta2 was evaluated by its ability to inhibit [3H]NIC binding to rat brain membranes


Bioorg Med Chem Lett 12: 3067-71 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119792
PNG
(1,11-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyr...)
Show SMILES CN1CCC[C@H]1c1ccc[n+](CCCCCCCCCCC[n+]2cccc(c2)[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C31H50N4/c1-32-20-14-18-30(32)28-16-12-24-34(26-28)22-10-8-6-4-3-5-7-9-11-23-35-25-13-17-29(27-35)31-19-15-21-33(31)2/h12-13,16-17,24-27,30-31H,3-11,14-15,18-23H2,1-2H3/q+2/t30-,31-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity nicotinic acetylcholine receptor alpha-7 was evaluated by its ability to inhibit [3H]methyllycaconitine ([3H]-MLA) binding to rat br...


Bioorg Med Chem Lett 12: 3067-71 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair