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PubMed code 15715488

Compile data set for download or QSAR
Found 21 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))
BDBM50162061
PNG
(2-(5-Ethynyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hep...)
Show SMILES C#Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11|
Show InChI InChI=1S/C13H14N2/c1-2-9-5-10(8-14-7-9)12-6-11-3-4-13(12)15-11/h1,5,7-8,11-13,15H,3-4,6H2
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PubMed
0.0200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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PubMed
0.0260n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162062
PNG
(2-(5-Iodo-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2...)
Show SMILES CN1C2CCC1C(C2)c1cncc(I)c1 |TLB:8:6:1:4.3|
Show InChI InChI=1S/C12H15IN2/c1-15-10-2-3-12(15)11(5-10)8-4-9(13)7-14-6-8/h4,6-7,10-12H,2-3,5H2,1H3
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0.0300n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162063
PNG
(2-(5-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hept...)
Show SMILES Fc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13FN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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0.0400n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162064
PNG
(2-(5-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13BrN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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0.0500n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162056
PNG
(2-(5-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hept...)
Show SMILES Clc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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0.0600n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162057
PNG
((+)2-(5-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hep...)
Show SMILES Ic1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13IN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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0.0600n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162060
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-3-ylamin...)
Show SMILES Nc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H15N3/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4,12H2
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0.100n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50162059
PNG
(2-(5-Vinyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES C=Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11|
Show InChI InChI=1S/C13H16N2/c1-2-9-5-10(8-14-7-9)12-6-11-3-4-13(12)15-11/h2,5,7-8,11-13,15H,1,3-4,6H2
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0.260n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162061
PNG
(2-(5-Ethynyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hep...)
Show SMILES C#Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11|
Show InChI InChI=1S/C13H14N2/c1-2-9-5-10(8-14-7-9)12-6-11-3-4-13(12)15-11/h1,5,7-8,11-13,15H,3-4,6H2
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5n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162062
PNG
(2-(5-Iodo-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2...)
Show SMILES CN1C2CCC1C(C2)c1cncc(I)c1 |TLB:8:6:1:4.3|
Show InChI InChI=1S/C12H15IN2/c1-15-10-2-3-12(15)11(5-10)8-4-9(13)7-14-6-8/h4,6-7,10-12H,2-3,5H2,1H3
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33n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162056
PNG
(2-(5-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hept...)
Show SMILES Clc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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51n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162057
PNG
((+)2-(5-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hep...)
Show SMILES Ic1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13IN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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150n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162057
PNG
((+)2-(5-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hep...)
Show SMILES Ic1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13IN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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150n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162064
PNG
(2-(5-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13BrN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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164n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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198n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162059
PNG
(2-(5-Vinyl-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES C=Cc1cncc(c1)C1CC2CCC1N2 |THB:6:8:14:12.11|
Show InChI InChI=1S/C13H16N2/c1-2-9-5-10(8-14-7-9)12-6-11-3-4-13(12)15-11/h2,5,7-8,11-13,15H,1,3-4,6H2
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344n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162060
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-3-ylamin...)
Show SMILES Nc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H15N3/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4,12H2
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732n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50162063
PNG
(2-(5-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hept...)
Show SMILES Fc1cncc(c1)C1CC2CCC1N2 |THB:5:7:13:11.10|
Show InChI InChI=1S/C11H13FN2/c12-8-3-7(5-13-6-8)10-4-9-1-2-11(10)14-9/h3,5-6,9-11,14H,1-2,4H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [125I]-iodo-MLA binding to Nicotinic acetylcholine receptor alpha-7 in rat cerebral cortex


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))
BDBM50001942
PNG
(CHEMBL2113668 | Iodo-MLA)
Show SMILES [H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)[C@@H](OC)[C@@]2([H])[C@@]33[C@H](CC[C@@]2(COC(=O)c2cc([125I])ccc2N2C(=O)C[C@H](C)C2=O)CN(CC)[C@@]13[H])OC |r,TLB:27:21:10.3.5:51,19:18:10.3.5:51,18:21:25.26.24:47.51.48,3:23:18.16:27.47.48,THB:24:23:18.16:27.47.48,8:7:3.2:10.13.12|
Show InChI InChI=1S/C37H49IN2O10/c1-7-39-16-34(17-50-32(43)20-13-19(38)8-9-23(20)40-26(41)12-18(2)31(40)42)11-10-25(47-4)36-22-14-21-24(46-3)15-35(44,27(22)28(21)48-5)37(45,33(36)39)30(49-6)29(34)36/h8-9,13,18,21-22,24-25,27-30,33,44-45H,7,10-12,14-17H2,1-6H3/t18-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37-/m0/s1/i38-2
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n/an/an/a 2n/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Dissociation constant for rat Nicotinic acetylcholine receptor alpha-7 at 45 pM


J Med Chem 48: 1221-8 (2005)


Article DOI: 10.1021/jm040160b
BindingDB Entry DOI: 10.7270/Q26W9BV6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%