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BDBM50119796 1,1'-(hexane-1,6-diyl)diquinolinium iodide::1,6-di(1-quinoliniumyl)hexane; with diiodide ions::CHEMBL430870::CHEMBL601410

SMILES: C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12

InChI Key: InChIKey=CHWJVANCPFQFAA-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50119796   
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
Acetylcholinesterase


(Homo sapiens (human))
BDBM50119796
PNG
(1,1'-(hexane-1,6-diyl)diquinolinium iodide | 1,6-d...)
Show SMILES C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte recombinant AChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50119796
PNG
(1,1'-(hexane-1,6-diyl)diquinolinium iodide | 1,6-d...)
Show SMILES C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
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1.33E+4n/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)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50119796
PNG
(1,1'-(hexane-1,6-diyl)diquinolinium iodide | 1,6-d...)
Show SMILES C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
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3.93E+4n/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)


Article DOI: 10.1016/s0960-894x(02)00687-x
BindingDB Entry DOI: 10.7270/Q2Q81DNR
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50119796
PNG
(1,1'-(hexane-1,6-diyl)diquinolinium iodide | 1,6-d...)
Show SMILES C(CCC[n+]1cccc2ccccc12)CC[n+]1cccc2ccccc12
Show InChI InChI=1S/C24H26N2/c1(7-17-25-19-9-13-21-11-3-5-15-23(21)25)2-8-18-26-20-10-14-22-12-4-6-16-24(22)26/h3-6,9-16,19-20H,1-2,7-8,17-18H2/q+2
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Article
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n/an/a 5.00E+3n/an/an/an/an/an/a



Charles University

Curated by ChEMBL


Assay Description
Inhibition of human plasmatic BChE by modified Ellman's method


Bioorg Med Chem Lett 21: 2505-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.047
BindingDB Entry DOI: 10.7270/Q2JW8F6N
More data for this
Ligand-Target Pair