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PubMed code 14611837

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50135594
PNG
((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...)
Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
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 0.270n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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 0.430n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50135592
PNG
(2-(5-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cncc(c1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)15-11-16(13-20-12-15)18-8-4-7-17-9-10-19(18)21-17/h1-3,5-6,8,11-13,17,19,21H,4,7,9-10H2
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 4.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))		BDBM50135594
PNG
((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...)
Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
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 6.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50135595
PNG
(2-(6-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1ccc(nc1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)18-11-9-15(13-20-18)17-8-4-7-16-10-12-19(17)21-16/h1-3,5-6,8-9,11,13,16,19,21H,4,7,10,12H2
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 21n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))		BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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 23n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))		BDBM50135595
PNG
(2-(6-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1ccc(nc1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)18-11-9-15(13-20-18)17-8-4-7-16-10-12-19(17)21-16/h1-3,5-6,8-9,11,13,16,19,21H,4,7,10,12H2
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 56n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50135597
PNG
(2-Pyridin-3-yl-9-aza-bicyclo[4.2.1]non-2-ene | CHE...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C13H16N2/c1-4-11-6-7-13(15-11)12(5-1)10-3-2-8-14-9-10/h2-3,5,8-9,11,13,15H,1,4,6-7H2
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 89n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50135593
PNG
(2-(4-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cnccc1-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)16-11-12-20-13-18(16)17-8-4-7-15-9-10-19(17)21-15/h1-3,5-6,8,11-13,15,19,21H,4,7,9-10H2
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 234n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))		BDBM50135592
PNG
(2-(5-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cncc(c1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)15-11-16(13-20-12-15)18-8-4-7-17-9-10-19(18)21-17/h1-3,5-6,8,11-13,17,19,21H,4,7,9-10H2
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 468n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 subtype of neuronal nicotinic acetylcholine receptor (nAChR) using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50135593
PNG
(2-(4-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cnccc1-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)16-11-12-20-13-18(16)17-8-4-7-15-9-10-19(17)21-15/h1-3,5-6,8,11-13,15,19,21H,4,7,9-10H2
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 927n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50135595
PNG
(2-(6-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1ccc(nc1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)18-11-9-15(13-20-18)17-8-4-7-16-10-12-19(17)21-16/h1-3,5-6,8-9,11,13,16,19,21H,4,7,10,12H2
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 1.31E+3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))		BDBM50135593
PNG
(2-(4-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cnccc1-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)16-11-12-20-13-18(16)17-8-4-7-15-9-10-19(17)21-15/h1-3,5-6,8,11-13,15,19,21H,4,7,9-10H2
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 1.99E+3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50135594
PNG
((+/-)-2-(6-chloropyridin-3-yl)-9-aza-bicyclo[4.2.1...)
Show SMILES Clc1ccc(cn1)C1=CCCC2CCC1N2 |t:8,THB:4:7:12.13:15|
Show InChI InChI=1S/C13H15ClN2/c14-13-7-4-9(8-15-13)11-3-1-2-10-5-6-12(11)16-10/h3-4,7-8,10,12,16H,1-2,5-6H2
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 2.76E+3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50135592
PNG
(2-(5-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cncc(c1)-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-5-14(6-3-1)15-11-16(13-20-12-15)18-8-4-7-17-9-10-19(18)21-17/h1-3,5-6,8,11-13,17,19,21H,4,7,9-10H2
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 1.60E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50135596
PNG
(2-(2-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-6-14(7-3-1)19-17(10-5-13-20-19)16-9-4-8-15-11-12-18(16)21-15/h1-3,5-7,9-10,13,15,18,21H,4,8,11-12H2
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha7 using [3H]-MLA as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2


(Homo sapiens (Human))		BDBM50135596
PNG
(2-(2-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-6-14(7-3-1)19-17(10-5-13-20-19)16-9-4-8-15-11-12-18(16)21-15/h1-3,5-7,9-10,13,15,18,21H,4,8,11-12H2
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))		BDBM50135596
PNG
(2-(2-Phenyl-pyridin-3-yl)-9-aza-bicyclo[4.2.1]non-...)
Show SMILES C1CC2NC1CCC=C2c1cccnc1-c1ccccc1 |c:8,THB:9:8:3:1.0|
Show InChI InChI=1S/C19H20N2/c1-2-6-14(7-3-1)19-17(10-5-13-20-19)16-9-4-8-15-11-12-18(16)21-15/h1-3,5-7,9-10,13,15,18,21H,4,8,11-12H2
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 using [3H]-nicotine as radioligand

Bioorg Med Chem Lett 13: 2825-8 (2003)


BindingDB Entry DOI: 10.7270/Q2Z31Z26
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%