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Compile Data Set for Download or QSAR

Found 127 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-2/beta-2' AND taxid = 10116   
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-2/beta-2


(Rattus norvegicus (Rat))		BDBM50100707
PNG
((R)-2-(6-Fluoro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]...)
Show SMILES Fc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13FN2/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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 0.00200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha4-beta2 expressed in Xenopus oocytes

Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0100n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Functional potency measured as stimulation at rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in Xenopus oocytes

Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50100715
PNG
(2-(6-Bromo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]hepta...)
Show SMILES Brc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13BrN2/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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 0.0130n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha4-beta4 expressed in Xenopus oocytes using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0200n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells

J Med Chem 49: 2673-6 (2006)


Article DOI: 10.1021/jm051196m
BindingDB Entry DOI: 10.7270/Q2GX4F96
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0250n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for binding affinity against Nicotinic acetylcholine receptor alpha2-beta2

J Med Chem 46: 921-4 (2003)


Article DOI: 10.1021/jm025613w
BindingDB Entry DOI: 10.7270/Q2P271VS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0250n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0250n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


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

Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0260n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat Nicotinic acetylcholine receptor alpha3-beta4 expressed in HEK293 cells using [3H]EB as radioligand

Bioorg Med Chem Lett 14: 1845-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.105
BindingDB Entry DOI: 10.7270/Q2TB17G2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/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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 0.0260n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand

Bioorg Med Chem Lett 14: 1845-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.105
BindingDB Entry DOI: 10.7270/Q2TB17G2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50100717
PNG
(2-(pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-P...)
Show SMILES C1CC2NC1CC2c1cccnc1 |THB:7:6:3:1.0|
Show InChI InChI=1S/C11H14N2/c1-2-8(7-12-5-1)10-6-9-3-4-11(10)13-9/h1-2,5,7,9-11,13H,3-4,6H2
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 0.0280n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards rat alpha2-beta2 neuronal nAChR expressed in Xenopus oocytes using [3H]-epibatidine as radioligand

Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50143281
PNG
(3-((S)-Azetidin-2-yloxy)-5-iodo-pyridine | CHEMBL5...)
Show SMILES Ic1cncc(O[C@H]2CCN2)c1
Show InChI InChI=1S/C8H9IN2O/c9-6-3-7(5-10-4-6)12-8-1-2-11-8/h3-5,8,11H,1-2H2/t8-/m0/s1
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 0.0310n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand

Bioorg Med Chem Lett 14: 1845-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.105
BindingDB Entry DOI: 10.7270/Q2TB17G2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475411
PNG
(CHEMBL197830)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C18H19FN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
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 0.0350n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50106490
PNG
(2-(6-Chloro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Clc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |THB:4:13:19:17.16|
Show InChI InChI=1S/C17H17ClN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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 0.0370n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475410
PNG
(CHEMBL372133)
Show SMILES COc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2 |TLB:10:15:21:19.18|
Show InChI InChI=1S/C18H19ClN2O/c1-22-14-5-2-11(3-6-14)16-8-12(10-20-18(16)19)15-9-13-4-7-17(15)21-13/h2-3,5-6,8,10,13,15,17,21H,4,7,9H2,1H3
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 0.0400n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475409
PNG
(CHEMBL197526)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1Cl)C1CC2CCC1N2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C18H19ClN2/c1-11-2-4-12(5-3-11)16-8-13(10-20-18(16)19)15-9-14-6-7-17(15)21-14/h2-5,8,10,14-15,17,21H,6-7,9H2,1H3
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 0.0440n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475407
PNG
(CHEMBL198228)
Show SMILES CN1C2CCC1C(C2)c1cnc(Cl)c(c1)-c1ccccc1 |TLB:0:1:6.7:4.3,THB:8:6:1:4.3|
Show InChI InChI=1S/C18H19ClN2/c1-21-14-7-8-17(21)15(10-14)13-9-16(18(19)20-11-13)12-5-3-2-4-6-12/h2-6,9,11,14-15,17H,7-8,10H2,1H3
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 0.0530n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50100713
PNG
(5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-2-ylamin...)
Show SMILES Nc1ccc(cn1)C1CC2CCC1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H15N3/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,(H2,12,13)
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 0.0620n/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 from rat membranes

Bioorg Med Chem Lett 14: 1889-96 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.007
BindingDB Entry DOI: 10.7270/Q2S75FR9
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM86816
PNG
(CAS_45263769 | NSC_45263769 | rac-2-(5-(4-chloroph...)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)cc1)C1CC2CCC1N2 |TLB:4:14:17.18:20|
Show InChI InChI=1S/C17H16ClFN2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
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 0.0640n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50171007
PNG
(4-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-2-fluoro-pyri...)
Show SMILES Fc1ncc(cc1-c1ccc(cc1)C#N)C1CC2CCC1N2 |TLB:4:15:21:19.18|
Show InChI InChI=1S/C18H16FN3/c19-18-16(12-3-1-11(9-20)2-4-12)7-13(10-21-18)15-8-14-5-6-17(15)22-14/h1-4,7,10,14-15,17,22H,5-6,8H2
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 0.0660n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1 |r|
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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 0.0740n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity towards rat nicotinic acetylcholine receptor alpha2-beta2 expressed in HEK293 cells using [3H]EB as radioligand

Bioorg Med Chem Lett 14: 1845-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.105
BindingDB Entry DOI: 10.7270/Q2TB17G2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM86815
PNG
(CAS_45266019 | NSC_45266019 | rac-2-(6-fluoro-5-(4...)
Show SMILES Fc1ccc(cc1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:17.18:20|
Show InChI InChI=1S/C17H16F2N2/c18-12-3-1-10(2-4-12)15-7-11(9-20-17(15)19)14-8-13-5-6-16(14)21-13/h1-4,7,9,13-14,16,21H,5-6,8H2
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 0.0790n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Homo sapiens (Human))		BDBM397477
PNG
(US9993465, Sazetidine-A)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCO
Show InChI InChI=1S/C15H20N2O2/c1-12-15(19-11-14-6-7-16-14)9-13(10-17-12)5-3-2-4-8-18/h9-10,14,16,18H,2,4,6-8,11H2,1H3
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 0.0870n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q24T6MQ8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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 0.0870 -53.4n/an/an/an/an/a7.44



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....

US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475406
PNG
(CHEMBL372326)
Show SMILES Fc1ncc(cc1-c1ccc(Cl)c(Cl)c1)C1CC2CCC1N2 |TLB:4:15:21:19.18|
Show InChI InChI=1S/C17H15Cl2FN2/c18-14-3-1-9(6-15(14)19)13-5-10(8-21-17(13)20)12-7-11-2-4-16(12)22-11/h1,3,5-6,8,11-12,16,22H,2,4,7H2
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 0.245n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50216347
PNG
((1R,4R)-2-(3-pyridinyl)-2,5-diazabicyclo[2.2.1]hep...)
Show SMILES C1NC2CC1N(C2)c1cccnc1 |TLB:7:5:0.1:3|
Show InChI InChI=1S/C10H13N3/c1-2-9(5-11-3-1)13-7-8-4-10(13)6-12-8/h1-3,5,8,10,12H,4,6-7H2
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 0.300n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50210335
PNG
(CHEMBL3898434)
Show SMILES [H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1CCCNCC1 |r|
Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m1/s1
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 0.300n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50210334
PNG
(CHEMBL3948977)
Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r|
Show InChI InChI=1S/C16H25N3O/c1-20-8-3-13-10-16(13)14-9-15(12-18-11-14)19-6-2-4-17-5-7-19/h9,11-13,16-17H,2-8,10H2,1H3/t13-,16-/m0/s1
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 0.300n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Homo sapiens (Human))		BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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 0.480n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q24T6MQ8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM221048
PNG
(US9284322, varenicline | US9303017, Varenicline)
Show SMILES C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+
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 0.480 -49.4n/an/an/an/an/a7.44



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....

US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50106488
PNG
(2-(6-Fluoro-5-phenyl-pyridin-3-yl)-7-aza-bicyclo[2...)
Show SMILES Fc1ncc(cc1-c1ccccc1)C1CC2CCC1N2 |THB:4:13:19:17.16|
Show InChI InChI=1S/C17H17FN2/c18-17-15(11-4-2-1-3-5-11)8-12(10-19-17)14-9-13-6-7-16(14)20-13/h1-5,8,10,13-14,16,20H,6-7,9H2
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 0.643n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475816
PNG
(CHEMBL205644)
Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O
Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2
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 0.700n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells

J Med Chem 49: 2673-6 (2006)


Article DOI: 10.1021/jm051196m
BindingDB Entry DOI: 10.7270/Q2GX4F96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50210337
PNG
(CHEMBL3970672)
Show SMILES OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C15H20N4O2/c20-7-2-13-9-15(21-18-13)12-8-14(11-17-10-12)19-5-1-3-16-4-6-19/h8-11,16,20H,1-7H2
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 0.800n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells

J Med Chem 49: 2673-6 (2006)


Article DOI: 10.1021/jm051196m
BindingDB Entry DOI: 10.7270/Q2GX4F96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475408
PNG
(CHEMBL382533)
Show SMILES Cc1cccc(c1)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:9:14:20:18.17|
Show InChI InChI=1S/C18H19FN2/c1-11-3-2-4-12(7-11)16-8-13(10-20-18(16)19)15-9-14-5-6-17(15)21-14/h2-4,7-8,10,14-15,17,21H,5-6,9H2,1H3
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 1.10n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50088438
PNG
(1-(pyridin-3-yl)-1,4-diazepane | 1-Pyridin-3-yl-[1...)
Show SMILES C1CNCCN(C1)c1cccnc1
Show InChI InChI=1S/C10H15N3/c1-3-10(9-12-4-1)13-7-2-5-11-6-8-13/h1,3-4,9,11H,2,5-8H2
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 1.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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 1.40n/an/an/an/an/an/an/an/a



Georgetown University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined against Nicotinic acetylcholine receptor using [3H]-(-)-nicotine radioligand

Bioorg Med Chem Lett 14: 1845-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.09.105
BindingDB Entry DOI: 10.7270/Q2TB17G2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475405
PNG
(CHEMBL197725)
Show SMILES Cc1cc(ccc1F)-c1cc(cnc1F)C1CC2CCC1N2 |TLB:10:15:21:19.18|
Show InChI InChI=1S/C18H18F2N2/c1-10-6-11(2-4-16(10)19)15-7-12(9-21-18(15)20)14-8-13-3-5-17(14)22-13/h2,4,6-7,9,13-14,17,22H,3,5,8H2,1H3
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 1.5n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro binding affinity towards rat Nicotinic acetylcholine receptor alpha2-beta2 using 0.5 nM [3H]epibatidine

Bioorg Med Chem Lett 15: 4385-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.039
BindingDB Entry DOI: 10.7270/Q2H41V62
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50452056
PNG
(CHEMBL417586)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:23:21:16:19.18,14:13:7.8:11.10,THB:4:7:13:11.10,15:16:21.22:19.18|
Show InChI InChI=1S/C24H28Cl2N4/c25-23-7-1-15(13-27-23)19-11-17-3-5-21(19)29(17)9-10-30-18-4-6-22(30)20(12-18)16-2-8-24(26)28-14-16/h1-2,7-8,13-14,17-22H,3-6,9-12H2
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 2.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine

Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50210338
PNG
(CHEMBL3926480)
Show SMILES [H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|
Show InChI InChI=1S/C16H23N3O/c1-20-3-2-11-5-16(11)12-4-14(8-17-7-12)19-10-13-6-15(19)9-18-13/h4,7-8,11,13,15-16,18H,2-3,5-6,9-10H2,1H3/t11-,13-,15-,16-/m0/s1
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 3.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha2beta2 nAChR by liquid scintillation counting

Eur J Med Chem 124: 689-697 (2016)


Article DOI: 10.1016/j.ejmech.2016.09.016
BindingDB Entry DOI: 10.7270/Q2H41TDB
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50452054
PNG
(CHEMBL53620)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,27:25:20:23.22,THB:19:20:25.26:23.22,4:7:13:11.10|
Show InChI InChI=1S/C28H36Cl2N4/c29-27-11-5-19(17-31-27)23-15-21-7-9-25(23)33(21)13-3-1-2-4-14-34-22-8-10-26(34)24(16-22)20-6-12-28(30)32-18-20/h5-6,11-12,17-18,21-26H,1-4,7-10,13-16H2
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 3.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha2-beta4 using [3H]epibatidine

Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50428081
PNG
(CHEMBL2323570 | US9303017, (S)-17)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCO |r|
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
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 5.30 -43.9n/an/an/an/an/a7.44



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....

US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Homo sapiens (Human))		BDBM397483
PNG
(US9993465, (S)-17)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCO
Show InChI InChI=1S/C16H22N2O2/c1-13-16(20-12-15-7-8-17-15)10-14(11-18-13)6-4-2-3-5-9-19/h10-11,15,17,19H,2-3,5,7-9,12H2,1H3
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 5.30n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q24T6MQ8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50452053
PNG
(CHEMBL55732)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,24:22:17:20.19,THB:4:7:13:11.10|
Show InChI InChI=1S/C25H30Cl2N4/c26-24-8-2-16(14-28-24)20-12-18-4-6-22(20)30(18)10-1-11-31-19-5-7-23(31)21(13-19)17-3-9-25(27)29-15-17/h2-3,8-9,14-15,18-23H,1,4-7,10-13H2
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 5.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards nicotinic acetylcholine receptor alpha2-beta2 using [3H]epibatidine

Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Homo sapiens (Human))		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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 5.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha2beta2 nAChR after 4 hrs by liquid scintillation counting analysis

ACS Med Chem Lett 3: 1054-1058 (2012)


Article DOI: 10.1021/ml3002715
BindingDB Entry DOI: 10.7270/Q25M66WS
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50475815
PNG
(CHEMBL379303)
Show SMILES Cc1cc2C3CNCC(C3)Cn2c(=O)c1
Show InChI InChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3
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 7.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells

J Med Chem 49: 2673-6 (2006)


Article DOI: 10.1021/jm051196m
BindingDB Entry DOI: 10.7270/Q2GX4F96
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50452055
PNG
(CHEMBL56045)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2CCCCCCCCCCN1C2CCC1C(C2)c1ccc(Cl)nc1 |TLB:14:13:7.8:11.10,31:29:24:27.26,THB:23:24:29.30:27.26,4:7:13:11.10|
Show InChI InChI=1S/C32H44Cl2N4/c33-31-15-9-23(21-35-31)27-19-25-11-13-29(27)37(25)17-7-5-3-1-2-4-6-8-18-38-26-12-14-30(38)28(20-26)24-10-16-32(34)36-22-24/h9-10,15-16,21-22,25-30H,1-8,11-14,17-20H2
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 7.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards Nicotinic acetylcholine receptor alpha3-beta2 using [3H]epibatidine

Bioorg Med Chem Lett 14: 1855-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.071
BindingDB Entry DOI: 10.7270/Q269753N
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50428086
PNG
(CHEMBL2323572 | US9303017, (S)-21, YL-1-235)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCCl |r|
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
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 8.60 -42.8n/an/an/an/an/a7.44



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....

US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Homo sapiens (Human))		BDBM397485
PNG
(US9993465, (S)-21)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCCl
Show InChI InChI=1S/C16H21ClN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
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 8.60n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q24T6MQ8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Homo sapiens (Human))		BDBM397484
PNG
(US9993465, (S)-22)
Show SMILES Cc1ncc(cc1OCC1CCN1)C#CCCCCF
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3
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 8.70n/an/an/an/an/an/an/an/a



BioCryst Pharmaceuticals



Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris.H...

Bioorg Med Chem 17: 3934-58 (2009)


BindingDB Entry DOI: 10.7270/Q24T6MQ8
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2


(Rattus norvegicus (Rat))		BDBM50428080
PNG
(CHEMBL2323571 | US9303017, (S)-22, YL-1-231)
Show SMILES Cc1ncc(cc1OC[C@@H]1CCN1)C#CCCCCF |r|
Show InChI InChI=1S/C16H21FN2O/c1-13-16(20-12-15-7-9-18-15)10-14(11-19-13)6-4-2-3-5-8-17/h10-11,15,18H,2-3,5,7-9,12H2,1H3/t15-/m0/s1
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 8.70 -42.8n/an/an/an/an/a7.44



Georgetown University; Duke University

US Patent


Assay Description
Briefly, cultured cells at >80% confluence were removed from their flasks (80 cm^2) with a disposable cell scraper and placed in 10 mL of 50 mM Tris....

US Patent US9303017 (2016)


BindingDB Entry DOI: 10.7270/Q25X27SF
More data for this
Ligand-Target Pair
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