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Compile Data Set for Download or QSAR

Found 173 hits of ki for UniProtKB: P32297   
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-3/beta-2 subunit


(Homo sapiens (Human))
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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0.0350n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162983
PNG
(6-[5-(7-Aza-bicyclo[2.2.1]hept-2-yl)-pyridin-3-yl]...)
Show SMILES OCCCCC#Cc1cncc(c1)C1CC2CCC1N2 |THB:11:13:19:17.16|
Show InChI InChI=1S/C17H22N2O/c20-8-4-2-1-3-5-13-9-14(12-18-11-13)16-10-15-6-7-17(16)19-15/h9,11-12,15-17,19-20H,1-2,4,6-8,10H2
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0.230n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
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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0.457n/an/an/an/an/an/an/an/a



University of Wollongong

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: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140291
PNG
(CHEMBL3758455)
Show SMILES Ic1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12IN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(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 protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162988
PNG
(3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H18N2O2/c1-16-6-2-5-13(16)11-18-14-8-12(4-3-7-17)9-15-10-14/h8-10,13,17H,2,5-7,11H2,1H3/t13-/m0/s1
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7.10n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162986
PNG
(3-Ethynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#C
Show InChI InChI=1S/C13H16N2O/c1-3-11-7-13(9-14-8-11)16-10-12-5-4-6-15(12)2/h1,7-9,12H,4-6,10H2,2H3/t12-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50097613
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenylet...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C19H20N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8,11,15H2,1H3/t18-/m0/s1
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8.60n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162987
PNG
(6-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCO
Show InChI InChI=1S/C17H24N2O2/c1-19-9-6-8-16(19)14-21-17-11-15(12-18-13-17)7-4-2-3-5-10-20/h11-13,16,20H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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14n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 407-20 (2003)


Article DOI: 10.1124/jpet.103.049262
BindingDB Entry DOI: 10.7270/Q2GM85WX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162984
PNG
(3-(6-Fluoro-hex-1-ynyl)-5-((S)-1-methyl-pyrrolidin...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCF
Show InChI InChI=1S/C17H23FN2O/c1-20-10-6-8-16(20)14-21-17-11-15(12-19-13-17)7-4-2-3-5-9-18/h11-13,16H,2-3,5-6,8-10,14H2,1H3/t16-/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162982
PNG
(3-Hex-1-ynyl-5-((S)-1-methyl-pyrrolidin-2-ylmethox...)
Show SMILES CCCCC#Cc1cncc(OC[C@@H]2CCCN2C)c1
Show InChI InChI=1S/C17H24N2O/c1-3-4-5-6-8-15-11-17(13-18-12-15)20-14-16-9-7-10-19(16)2/h11-13,16H,3-5,7,9-10,14H2,1-2H3/t16-/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162985
PNG
(2-Methyl-4-[5-((S)-1-methyl-pyrrolidin-2-ylmethoxy...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CC(C)(C)O
Show InChI InChI=1S/C16H22N2O2/c1-16(2,19)7-6-13-9-15(11-17-10-13)20-12-14-5-4-8-18(14)3/h9-11,14,19H,4-5,8,12H2,1-3H3/t14-/m0/s1
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23n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(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 protein alpha-3/beta-2 subunit


(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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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta2 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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50203716
PNG
(CHEMBL3982273)
Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)-c1ccc(O)cc1 |r|
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140289
PNG
(CHEMBL3759225)
Show SMILES Brc1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12BrN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(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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47n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140303
PNG
(CHEMBL3759863)
Show SMILES Fc1cc(Br)cc(c1)C1=NCCCC1 |t:9|
Show InChI InChI=1S/C11H11BrFN/c12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h5-7H,1-4H2
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48n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(Homo sapiens (Human))
BDBM50162989
PNG
(10-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridi...)
Show SMILES CN1CCC[C@H]1COc1cncc(c1)C#CCCCCCCCCO
Show InChI InChI=1S/C21H32N2O2/c1-23-13-10-12-20(23)18-25-21-15-19(16-22-17-21)11-8-6-4-2-3-5-7-9-14-24/h15-17,20,24H,2-7,9-10,12-14,18H2,1H3/t20-/m0/s1
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48n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of [3H]epibatidine binding to Nicotinic acetylcholine receptor alpha3-beta2


J Med Chem 48: 1721-4 (2005)


Article DOI: 10.1021/jm0492406
BindingDB Entry DOI: 10.7270/Q2BZ65JW
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit


(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 protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140292
PNG
(CHEMBL3759852)
Show SMILES Brc1cc(Br)cc(c1)C1=NCCCC1 |t:9|
Show InChI InChI=1S/C11H11Br2N/c12-9-5-8(6-10(13)7-9)11-3-1-2-4-14-11/h5-7H,1-4H2
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71n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140288
PNG
(CHEMBL3759731)
Show SMILES Clc1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12ClN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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77n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50139124
PNG
(CHEMBL3759208)
Show SMILES OCc1cccc(c1)C1=NCCCC1 |t:9|
Show InChI InChI=1S/C12H15NO/c14-9-10-4-3-5-11(8-10)12-6-1-2-7-13-12/h3-5,8,14H,1-2,6-7,9H2
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50139125
PNG
(CHEMBL3760021)
Show SMILES [H][C@@]12CC[C@@]([H])(N1)[C@H](C2)c1cccc(O)c1 |r|
Show InChI InChI=1/C12H15NO/c14-10-3-1-2-8(6-10)11-7-9-4-5-12(11)13-9/h1-3,6,9,11-14H,4-5,7H2/t9-,11+,12+/s2
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50142626
PNG
(CHEMBL3758480)
Show SMILES OCc1cc(F)cc(c1)C1=NCCCC1 |t:10|
Show InChI InChI=1S/C12H14FNO/c13-11-6-9(8-15)5-10(7-11)12-3-1-2-4-14-12/h5-7,15H,1-4,8H2
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80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50137787
PNG
(6-(6-Chloro-pyridin-3-yl)-8-aza-bicyclo[3.2.1]octa...)
Show SMILES OC1CC2CC(C(C1)N2)c1ccc(Cl)nc1 |TLB:0:1:8:5.4,THB:9:5:8:7.2.1|
Show InChI InChI=1S/C12H15ClN2O/c13-12-2-1-7(6-14-12)10-4-8-3-9(16)5-11(10)15-8/h1-2,6,8-11,15-16H,3-5H2
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88n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha4-beta2 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50142625
PNG
(CHEMBL3758513)
Show SMILES [H][C@@]12CC[C@@]([H])(N1)[C@H](C2)c1cccc(CO)c1 |r|
Show InChI InChI=1/C13H17NO/c15-8-9-2-1-3-10(6-9)12-7-11-4-5-13(12)14-11/h1-3,6,11-15H,4-5,7-8H2/t11-,12+,13+/s2
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92n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM109773
PNG
(US8609708, 74 Anabaseine)
Show SMILES C1CCC(=NC1)c1cccnc1 |c:3|
Show InChI InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2
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107n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50140287
PNG
(CHEMBL3758648)
Show SMILES Fc1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C11H12FN/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11/h3-5,8H,1-2,6-7H2
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108n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50170601
PNG
((1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.0^{1,10...)
Show SMILES C1C[C@@]23CN1CC[C@@H]2Oc1cccnc1C3
Show InChI InChI=1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1
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116n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 407-20 (2003)


Article DOI: 10.1124/jpet.103.049262
BindingDB Entry DOI: 10.7270/Q2GM85WX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50203723
PNG
(CHEMBL3930193)
Show SMILES CN1CCC[C@H]1COc1cc(cc(c1)[N+]([O-])=O)-c1ccc(O)cc1 |r|
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122n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50203717
PNG
(CHEMBL3952327)
Show SMILES CN1CCC[C@H]1COc1cc(O)cc(Br)c1 |r|
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147n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
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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151n/an/an/an/an/an/an/an/a



SIBIA Neurosciences, Inc.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 777-89 (1998)


Article DOI: 10.1111/cbdd.12530
BindingDB Entry DOI: 10.7270/Q28G8J7Q
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50142623
PNG
(CHEMBL3758565)
Show SMILES Cc1cccc(c1)C1=NCCCC1 |t:8|
Show InChI InChI=1S/C12H15N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h4-6,9H,2-3,7-8H2,1H3
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155n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
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
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187n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Research

Curated by PDSP Ki Database




J Pharmacol Exp Ther 306: 407-20 (2003)


Article DOI: 10.1124/jpet.103.049262
BindingDB Entry DOI: 10.7270/Q2GM85WX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50142624
PNG
(CHEMBL3759403)
Show SMILES C1CCC(=NC1)c1ccccc1 |c:3|
Show InChI InChI=1S/C11H13N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-3,6-7H,4-5,8-9H2
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194n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatidine from human alpha3beta4 nACh receptor expressed in HEK293 cells preincubated for 5 mins followed by radioligand addit...


Eur J Med Chem 108: 392-405 (2016)


BindingDB Entry DOI: 10.7270/Q2ZS2ZCH
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50203720
PNG
(CHEMBL3928806)
Show SMILES CN1CCC[C@H]1COc1cc(O)cc(c1)-c1ccccc1 |r|
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200n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(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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220n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro Binding affinity towards alpha-3 (PC12) nAChR was determined


Bioorg Med Chem Lett 11: 319-21 (2001)


BindingDB Entry DOI: 10.7270/Q2028S36
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50113482
PNG
(CHEMBL3603941)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccc(O)c1 |r|
Show InChI InChI=1/C13H19NO2/c1-10(13-7-4-8-14(13)2)16-12-6-3-5-11(15)9-12/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3/t10-,13+/s2
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257n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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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260n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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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260n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4 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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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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261n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50006616
PNG
(CHEMBL3235484)
Show SMILES Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)|
Show InChI InChI=1S/C19H19FN2O2S/c20-15-5-6-16(22-12-11-21-9-7-13(22)8-10-21)18-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2
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261n/an/an/an/an/an/an/an/a



The Johns Hopkins University School of Medicine

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...


J Med Chem 56: 7574-89 (2013)


Article DOI: 10.1021/jm401184f
BindingDB Entry DOI: 10.7270/Q2Z3215R
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50114015
PNG
(CHEMBL3603939)
Show SMILES COc1ccc(O)cc1OC[C@@H]1CCCN1C |r|
Show InChI InChI=1/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/s2
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271n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50357065
PNG
(CHEMBL1917232)
Show SMILES CN1CCC[C@H]1[C@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13+/m0/s1
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310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL




Eur J Med Chem 125: 1132-1144 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.048
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(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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320n/an/an/an/an/an/an/an/a



University of Wollongong

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor alpha3-beta4 using [3H]epibatidine as radioligand expressed in HEK293 cells or tsA cells


Bioorg Med Chem Lett 14: 271-3 (2003)


BindingDB Entry DOI: 10.7270/Q2MC8ZD0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50443769
PNG
(CHEMBL3094062)
Show SMILES O=C1CCCC2[C@H]3CNC[C@H](C3)CN12 |r,TLB:1:13:11:9.7.8,THB:4:5:11:9.7.8|
Show InChI InChI=1S/C11H18N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h8-10,12H,1-7H2/t8-,9+,10?/m0/s1
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385n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to alpha3beta4 nAChR (unknown origin)


Bioorg Med Chem 21: 7283-308 (2013)


Article DOI: 10.1016/j.bmc.2013.09.059
BindingDB Entry DOI: 10.7270/Q2S183ZX
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Homo sapiens (Human))
BDBM50203714
PNG
(CHEMBL3893291)
Show SMILES CN1CCC[C@H]1COc1cc(Br)cc(c1)[N+]([O-])=O |r|
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415n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [3H]-epibatine from human alpha3beta4-nACHR expressed in HEK243 cell membranes preincubated for 5 mins followed by overnight incubati...


Bioorg Med Chem Lett 26: 5613-5617 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.078
BindingDB Entry DOI: 10.7270/Q2RJ4MFR
More data for this
Ligand-Target Pair
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