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Compile Data Set for Download or QSAR

Found 152 hits of ic50 for UniProtKB: P09483   
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 subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50482166
PNG
(3-Iodocytisine | CHEMBL187394)
Show SMILES [H][C@@]12CNC[C@@]([H])(C1)c1ccc(I)c(=O)n1C2 |r|
Show InChI InChI=1S/C11H13IN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2/t7-,8+/m0/s1
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n/an/a 0.245n/an/an/an/an/an/a



Instituto de Investigaciones Biol£gicas Clemente Estable

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR


Bioorg Med Chem Lett 20: 3683-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.092
BindingDB Entry DOI: 10.7270/Q26Q212S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50329578
PNG
((-)-9-Bromocytisine | (1R,5S)-9-Bromo-1,2,3,4,5,6-...)
Show SMILES Brc1ccc2[C@H]3CNC[C@H](C3)Cn2c1=O |r|
Show InChI InChI=1S/C11H13BrN2O/c12-9-1-2-10-8-3-7(4-13-5-8)6-14(10)11(9)15/h1-2,7-8,13H,3-6H2
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n/an/a 0.309n/an/an/an/an/an/a



Instituto de Investigaciones Biol£gicas Clemente Estable

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4beta2 nAChR


Bioorg Med Chem Lett 20: 3683-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.092
BindingDB Entry DOI: 10.7270/Q26Q212S
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187442
PNG
(1-(6-bromo-5-(vinyloxy)pyridin-3-yl)-1,5-diazocane...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCCC1
Show InChI InChI=1S/C13H18BrN3O/c1-2-18-12-9-11(10-16-13(12)14)17-7-3-5-15-6-4-8-17/h2,9-10,15H,1,3-8H2
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n/an/a 0.380n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187445
PNG
(1-(6-bromopyridin-3-yl)-1,5-diazocane | 1-(6-bromo...)
Show SMILES Brc1ccc(cn1)N1CCCNCCC1
Show InChI InChI=1S/C11H16BrN3/c12-11-4-3-10(9-14-11)15-7-1-5-13-6-2-8-15/h3-4,9,13H,1-2,5-8H2
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n/an/a 0.450n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187455
PNG
(1-(6-Bromo-5-vinylpyridin-3-yl)-[1,4]diazepane | 1...)
Show SMILES Brc1ncc(cc1OC=C)N1CCCNCC1
Show InChI InChI=1S/C12H16BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h2,8-9,14H,1,3-7H2
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n/an/a 0.640n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50088456
PNG
(1-(6-Chloro-5-methoxy-pyridin-3-yl)-[1,4]diazepane...)
Show SMILES COc1cc(cnc1Cl)N1CCCNCC1
Show InChI InChI=1S/C11H16ClN3O/c1-16-10-7-9(8-14-11(10)12)15-5-2-3-13-4-6-15/h7-8,13H,2-6H2,1H3
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n/an/a 0.680n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using...


J Med Chem 43: 2217-26 (2000)


BindingDB Entry DOI: 10.7270/Q2NC62DS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50088453
PNG
(1-(6-Bromo-5-ethoxy-pyridin-3-yl)-[1,4]diazepane |...)
Show SMILES CCOc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C12H18BrN3O/c1-2-17-11-8-10(9-15-12(11)13)16-6-3-4-14-5-7-16/h8-9,14H,2-7H2,1H3
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n/an/a 0.870n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using...


J Med Chem 43: 2217-26 (2000)


BindingDB Entry DOI: 10.7270/Q2NC62DS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187447
PNG
(1-(pyridin-3-yl)-1,5-diazocane | 1-pyridin-3-yl-[1...)
Show SMILES C1CNCCCN(C1)c1cccnc1
Show InChI InChI=1S/C11H17N3/c1-4-11(10-13-5-1)14-8-2-6-12-7-3-9-14/h1,4-5,10,12H,2-3,6-9H2
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n/an/a 0.900n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50078044
PNG
(3-(6-Chloro-pyridin-3-ylmethyl)-3H-thiazol-(2E)-yl...)
Show SMILES Clc1ccc(Cn2ccsc2=N)cn1
Show InChI InChI=1S/C9H8ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-5,11H,6H2
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n/an/a 0.910n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187439
PNG
(1-(5-Methoxypyridin-3-yl)-[1,5]diazocane | 1-(5-me...)
Show SMILES COc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C12H19N3O/c1-16-12-8-11(9-14-10-12)15-6-2-4-13-5-3-7-15/h8-10,13H,2-7H2,1H3
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n/an/a 1n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50088454
PNG
(1-(6-Bromo-pyridin-3-yl)-[1,4]diazepane | 1-(6-bro...)
Show SMILES Brc1ccc(cn1)N1CCCNCC1
Show InChI InChI=1S/C10H14BrN3/c11-10-3-2-9(8-13-10)14-6-1-4-12-5-7-14/h2-3,8,12H,1,4-7H2
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n/an/a 1n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using...


J Med Chem 43: 2217-26 (2000)


BindingDB Entry DOI: 10.7270/Q2NC62DS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187438
PNG
((Z)-1-(5-(prop-1-enyloxy)pyridin-3-yl)-1,4-diazepa...)
Show SMILES C\C=C/Oc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C13H19N3O/c1-2-8-17-13-9-12(10-15-11-13)16-6-3-4-14-5-7-16/h2,8-11,14H,3-7H2,1H3/b8-2-
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n/an/a 1.30n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187441
PNG
(1-(5-bromo-6-chloropyridin-3-yl)-1,4-diazepane | 4...)
Show SMILES Clc1ncc(cc1Br)N1CCCNCC1
Show InChI InChI=1S/C10H13BrClN3/c11-9-6-8(7-14-10(9)12)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
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n/an/a 1.40n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187453
PNG
(1-(6-bromo-5-chloropyridin-3-yl)-1,4-diazepane | 1...)
Show SMILES Clc1cc(cnc1Br)N1CCCNCC1
Show InChI InChI=1S/C10H13BrClN3/c11-10-9(12)6-8(7-14-10)15-4-1-2-13-3-5-15/h6-7,13H,1-5H2
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n/an/a 1.40n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475830
PNG
(CHEMBL210643)
Show SMILES CCCCOc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C15H25N3O/c1-2-3-10-19-15-11-14(12-17-13-15)18-8-4-6-16-7-5-9-18/h11-13,16H,2-10H2,1H3
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n/an/a 1.80n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475827
PNG
(CHEMBL206988)
Show SMILES C\C=C/Oc1cncc(c1)N1CCC2CCC(C1)N2 |THB:8:10:18:15.14|
Show InChI InChI=1S/C15H21N3O/c1-2-7-19-15-8-14(9-16-10-15)18-6-5-12-3-4-13(11-18)17-12/h2,7-10,12-13,17H,3-6,11H2,1H3/b7-2-
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n/an/a 1.90n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50078056
PNG
(2-Chloro-5-(1-methyl-pyrrolidin-2-yl)-pyridine | C...)
Show SMILES CN1CCCC1c1ccc(Cl)nc1
Show InChI InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187437
PNG
(1-(5-chloropyridin-3-yl)-1,5-diazocane | 1-(5-chlo...)
Show SMILES Clc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C11H16ClN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2
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n/an/a 2n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472282
PNG
(descyanothiacloprid)
Show SMILES Clc1ccc(CN2CCSC2=N)cn1
Show InChI InChI=1S/C9H10ClN3S/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-2,5,11H,3-4,6H2
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n/an/a 2.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472297
PNG
(CHEMBL308637)
Show SMILES NC1=NCCCCN1Cc1ccc(Cl)nc1 |t:1|
Show InChI InChI=1S/C11H15ClN4/c12-10-4-3-9(7-15-10)8-16-6-2-1-5-14-11(16)13/h3-4,7H,1-2,5-6,8H2,(H2,13,14)
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n/an/a 2.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187454
PNG
(1-(5-Bromopyridin-3-yl)-[1,5]diazocane | 1-(5-brom...)
Show SMILES Brc1cncc(c1)N1CCCNCCC1
Show InChI InChI=1S/C11H16BrN3/c12-10-7-11(9-14-8-10)15-5-1-3-13-4-2-6-15/h7-9,13H,1-6H2
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n/an/a 2.80n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475829
PNG
(CHEMBL378629)
Show SMILES CCOc1cncc(c1)N1C2CCC1CNCC2 |TLB:7:9:12.11:17.14.15.16|
Show InChI InChI=1S/C14H21N3O/c1-2-18-14-7-13(9-16-10-14)17-11-3-4-12(17)8-15-6-5-11/h7,9-12,15H,2-6,8H2,1H3
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n/an/a 3n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475824
PNG
(CHEMBL382049)
Show SMILES C\C=C/Oc1cncc(c1)N1C2CCC1CNCC2 |TLB:8:10:13.12:18.15.16.17|
Show InChI InChI=1S/C15H21N3O/c1-2-7-19-15-8-14(10-17-11-15)18-12-3-4-13(18)9-16-6-5-12/h2,7-8,10-13,16H,3-6,9H2,1H3/b7-2-
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n/an/a 3.10n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472290
PNG
(CHEMBL440307)
Show SMILES Clc1ccc(CN2CCCC2=N)cn1
Show InChI InChI=1S/C10H12ClN3/c11-9-4-3-8(6-13-9)7-14-5-1-2-10(14)12/h3-4,6,12H,1-2,5,7H2
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n/an/a 3.5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
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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n/an/a 3.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50088450
PNG
(1-(5-(vinyloxy)pyridin-3-yl)-1,4-diazepane | 1-(5-...)
Show SMILES C=COc1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C12H17N3O/c1-2-16-12-8-11(9-14-10-12)15-6-3-4-13-5-7-15/h2,8-10,13H,1,3-7H2
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n/an/a 5n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
In vitro binding affinity for Nicotinic acetylcholine receptor alpha4-beta2 (alpha4 beta-2 subtype of nAChRs) in rat cerebral cortical membrane using...


J Med Chem 43: 2217-26 (2000)


BindingDB Entry DOI: 10.7270/Q2NC62DS
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475828
PNG
(CHEMBL208630)
Show SMILES C1CC1c1cncc(c1)N1CCCNCC1
Show InChI InChI=1S/C13H19N3/c1-4-14-5-7-16(6-1)13-8-12(9-15-10-13)11-2-3-11/h8-11,14H,1-7H2
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n/an/a 5.80n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50078048
PNG
(1-(6-Chloro-pyridin-3-ylmethyl)-imidazolidin-(2Z)-...)
Show SMILES NC1=NCCN1Cc1ccc(Cl)nc1 |t:1|
Show InChI InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
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n/an/a 6n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475823
PNG
(CHEMBL207038)
Show SMILES CCOc1cncc(c1)N1CCC2CCC(C1)N2 |THB:7:9:17:14.13|
Show InChI InChI=1S/C14H21N3O/c1-2-18-14-7-13(8-15-9-14)17-6-5-11-3-4-12(10-17)16-11/h7-9,11-12,16H,2-6,10H2,1H3
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n/an/a 6.5n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472292
PNG
(CHEMBL309577)
Show SMILES Clc1ccc(CN2CCOC2=N)cn1
Show InChI InChI=1S/C9H10ClN3O/c10-8-2-1-7(5-12-8)6-13-3-4-14-9(13)11/h1-2,5,11H,3-4,6H2
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n/an/a 7.20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475832
PNG
(CHEMBL208784)
Show SMILES Clc1cncc(c1)N1C2CCCC1CNCC2 |TLB:5:7:16.15.14.13:11.10.9|
Show InChI InChI=1S/C13H18ClN3/c14-10-6-13(9-16-7-10)17-11-2-1-3-12(17)8-15-5-4-11/h6-7,9,11-12,15H,1-5,8H2
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n/an/a 8.40n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472295
PNG
(CHEMBL431574)
Show SMILES Clc1ccc(CN2CCCC2)cn1
Show InChI InChI=1S/C10H13ClN2/c11-10-4-3-9(7-12-10)8-13-5-1-2-6-13/h3-4,7H,1-2,5-6,8H2
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n/an/a 8.80n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143302
PNG
((S)-1-dodecyl-3-(1-methylpyrrolidin-2-yl)pyridiniu...)
Show SMILES CCCCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C
Show InChI InChI=1S/C22H39N2/c1-3-4-5-6-7-8-9-10-11-12-18-24-19-13-15-21(20-24)22-16-14-17-23(22)2/h13,15,19-20,22H,3-12,14,16-18H2,1-2H3/q+1/t22-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246826
PNG
(CHEMBL4084577)
Show SMILES C[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4/c1-9-7-14-11(12)15(9)6-4-10-3-2-5-13-8-10/h2-3,5,8-9H,4,6-7H2,1H3,(H2,12,14)/t9-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK cells assessed as inhibition of epibatidine-induced membrane potential preincubated for...


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246823
PNG
(CHEMBL4071277)
Show SMILES OC[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Show InChI InChI=1S/C11H16N4O/c12-11-14-7-10(8-16)15(11)5-3-9-2-1-4-13-6-9/h1-2,4,6,10,16H,3,5,7-8H2,(H2,12,14)/t10-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Torrey Pines Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha4beta2 nAChR expressed in HEK cells assessed as inhibition of epibatidine-induced membrane potential preincubated for...


J Med Chem 60: 10092-10104 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01250
BindingDB Entry DOI: 10.7270/Q2PG1V5M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50475831
PNG
(CHEMBL210636)
Show SMILES COc1cncc(c1)N1C2CCC1CNCC2 |TLB:6:8:11.10:16.13.14.15|
Show InChI InChI=1S/C13H19N3O/c1-17-13-6-12(8-15-9-13)16-10-2-3-11(16)7-14-5-4-10/h6,8-11,14H,2-5,7H2,1H3
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n/an/a 10n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472285
PNG
(CHEMBL72334)
Show SMILES Clc1ccc(CN2CCCCC2=N)cn1
Show InChI InChI=1S/C11H14ClN3/c12-10-5-4-9(7-14-10)8-15-6-2-1-3-11(15)13/h4-5,7,13H,1-3,6,8H2
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n/an/a 11n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472280
PNG
(CHEMBL307036)
Show SMILES Clc1ccc(CN2CCCSC2=N)cn1
Show InChI InChI=1S/C10H12ClN3S/c11-9-3-2-8(6-13-9)7-14-4-1-5-15-10(14)12/h2-3,6,12H,1,4-5,7H2
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n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472289
PNG
(CHEMBL72201)
Show SMILES Clc1ccc(CN2CCCCC2)cn1
Show InChI InChI=1S/C11H15ClN2/c12-11-5-4-10(8-13-11)9-14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2
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n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50246829
PNG
(CHEMBL70624)
Show SMILES NC1=NCCN1Cc1cccnc1 |t:1|
Show InChI InChI=1S/C9H12N4/c10-9-12-4-5-13(9)7-8-2-1-3-11-6-8/h1-3,6H,4-5,7H2,(H2,10,12)
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n/an/a 14n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472293
PNG
(CHEMBL71583)
Show SMILES C[N+](C)(C)Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H14ClN2/c1-12(2,3)7-8-4-5-9(10)11-6-8/h4-6H,7H2,1-3H3/q+1
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n/an/a 16n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR was determined; experiment 1


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472283
PNG
(CHEMBL304517)
Show SMILES Clc1ccc(CN2CCC2)cn1
Show InChI InChI=1S/C9H11ClN2/c10-9-3-2-8(6-11-9)7-12-4-1-5-12/h2-3,6H,1,4-5,7H2
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n/an/a 16n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472293
PNG
(CHEMBL71583)
Show SMILES C[N+](C)(C)Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H14ClN2/c1-12(2,3)7-8-4-5-9(10)11-6-8/h4-6H,7H2,1-3H3/q+1
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR was determined; experiment 2


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50187459
PNG
(5-(1,4-diazepan-1-yl)-2-iodopyridin-3-ol | 5-[1,4]...)
Show SMILES Oc1cc(cnc1I)N1CCCNCC1
Show InChI InChI=1S/C10H14IN3O/c11-10-9(15)6-8(7-13-10)14-4-1-2-12-3-5-14/h6-7,12,15H,1-5H2
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n/an/a 22n/an/an/an/an/an/a



NeuroSearch A/S

Curated by ChEMBL


Assay Description
Inhibition of [3H]cytisine binding to alpha4beta2 nACHR in Wistar rat cerebral cortical membrane


J Med Chem 49: 3159-71 (2006)


Article DOI: 10.1021/jm058058h
BindingDB Entry DOI: 10.7270/Q2C53PM7
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50088651
PNG
(4-[2-Chloro-5-((R)-pyrrolidin-3-yloxy)-pyridin-3-y...)
Show SMILES Clc1ncc(O[C@@H]2CCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14ClN3O/c17-16-15(12-3-1-11(8-18)2-4-12)7-14(10-20-16)21-13-5-6-19-9-13/h1-4,7,10,13,19H,5-6,9H2/t13-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards nicotinic acetylcholine receptor alpha4-beta2


Bioorg Med Chem Lett 10: 1063-6 (2000)


BindingDB Entry DOI: 10.7270/Q2PK0HBC
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50472288
PNG
(CHEMBL73345)
Show SMILES Nc1nccn1Cc1ccc(Cl)nc1
Show InChI InChI=1S/C9H9ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-5H,6H2,(H2,11,12)
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n/an/a 23n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of [3H](-)-nicotine binding to recombinant rat alpha4-beta2 nAChR.


J Med Chem 42: 2227-34 (1999)


Article DOI: 10.1021/jm980721x
BindingDB Entry DOI: 10.7270/Q23X89CJ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143305
PNG
((3aR,9bS)-6-Decyl-1-methyl-2,3,3a,4,5,9b-hexahydro...)
Show SMILES CCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12
Show InChI InChI=1S/C22H37N2/c1-3-4-5-6-7-8-9-10-16-24-17-11-12-20-21(24)14-13-19-15-18-23(2)22(19)20/h11-12,17,19,22H,3-10,13-16,18H2,1-2H3/q+1/t19-,22+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143300
PNG
((3aR,9bS)-1-Methyl-6-undecyl-2,3,3a,4,5,9b-hexahyd...)
Show SMILES CCCCCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12
Show InChI InChI=1S/C23H39N2/c1-3-4-5-6-7-8-9-10-11-17-25-18-12-13-21-22(25)15-14-20-16-19-24(2)23(20)21/h12-13,18,20,23H,3-11,14-17,19H2,1-2H3/q+1/t20-,23+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143306
PNG
((3aR,9bS)-1-Methyl-6-octyl-2,3,3a,4,5,9b-hexahydro...)
Show SMILES CCCCCCCC[n+]1cccc2[C@@H]3[C@@H](CCN3C)CCc12
Show InChI InChI=1S/C20H33N2/c1-3-4-5-6-7-8-14-22-15-9-10-18-19(22)12-11-17-13-16-21(2)20(17)18/h9-10,15,17,20H,3-8,11-14,16H2,1-2H3/q+1/t17-,20+/m1/s1
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n/an/a 40n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against nAChR mediated nicotine-evoked [3H]-DA overflow using rat striatal slices


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Rattus norvegicus (Rat))
BDBM50143303
PNG
((3aS,9bR)-1-Methyl-8-undecyl-2,3,3a,4,5,9b-hexahyd...)
Show SMILES CCCCCCCCCCC[n+]1ccc2CC[C@H]3CCN(C)[C@H]3c2c1
Show InChI InChI=1S/C23H39N2/c1-3-4-5-6-7-8-9-10-11-16-25-18-15-20-12-13-21-14-17-24(2)23(21)22(20)19-25/h15,18-19,21,23H,3-14,16-17H2,1-2H3/q+1/t21-,23+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nicotine binding to Nicotinic acetylcholine receptor alpha4-beta2 in rat brain


Bioorg Med Chem Lett 14: 1869-74 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.074
BindingDB Entry DOI: 10.7270/Q21N80JP
More data for this
Ligand-Target Pair
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