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PubMed code 18989912

Compile data set for download or QSAR
Found 95 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274819
PNG
(3-((Cyclopropanecarbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C10H19NO2/c1-8(11(2)3)6-7-13-10(12)9-4-5-9/h8-9H,4-7H2,1-3H3
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3.80n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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5.10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275304
PNG
(3-((2-Methylazetidine-1-carbonyloxy)-1-methylpropy...)
Show SMILES CC(CCOC(=O)N1CCC1C)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-9(12(3)4)6-8-15-11(14)13-7-5-10(13)2/h9-10H,5-8H2,1-4H3
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5.40n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275262
PNG
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)
Show SMILES CC(CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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7.70n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
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13n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275304
PNG
(3-((2-Methylazetidine-1-carbonyloxy)-1-methylpropy...)
Show SMILES CC(CCOC(=O)N1CCC1C)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-9(12(3)4)6-8-15-11(14)13-7-5-10(13)2/h9-10H,5-8H2,1-4H3
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15n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275262
PNG
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)
Show SMILES CC(CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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20n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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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22n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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23n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
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30n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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48n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275305
PNG
(3-((2,2-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CCC1(C)C)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-9-16-11(15)14-8-7-12(14,2)3/h10H,6-9H2,1-5H3
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51n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275303
PNG
((S)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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57n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275266
PNG
(3-((3,3-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-7-16-11(15)14-8-12(2,3)9-14/h10H,6-9H2,1-5H3
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58n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
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58n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275307
PNG
(3-((Acetoxy)-1-methylpropyl)dimethylammonium Oxala...)
Show SMILES CC(CCOC(C)=O)N(C)C
Show InChI InChI=1S/C8H17NO2/c1-7(9(3)4)5-6-11-8(2)10/h7H,5-6H2,1-4H3
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65n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275264
PNG
(3-(dimethylamino)butyl piperidine-1-carboxylate | ...)
Show SMILES CC(CCOC(=O)N1CCCCC1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3
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91n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
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95n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275306
PNG
(3-((1H-Pyrrole-1-carbonyloxy)-1-methylpropyl)dimet...)
Show SMILES CC(CCOC(=O)n1cccc1)N(C)C
Show InChI InChI=1S/C11H18N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h4-5,7-8,10H,6,9H2,1-3H3
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100n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274820
PNG
(3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethy...)
Show SMILES CC(CCOC(=O)C1CCC1)N(C)C
Show InChI InChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
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100n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(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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150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275262
PNG
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)
Show SMILES CC(CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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190n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275263
PNG
(3-(dimethylamino) butyl pyrrolidine-1-carboxylate ...)
Show SMILES CC(CCOC(=O)N1CCCC1)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
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200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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200n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275305
PNG
(3-((2,2-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CCC1(C)C)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-9-16-11(15)14-8-7-12(14,2)3/h10H,6-9H2,1-5H3
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210n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275304
PNG
(3-((2-Methylazetidine-1-carbonyloxy)-1-methylpropy...)
Show SMILES CC(CCOC(=O)N1CCC1C)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-9(12(3)4)6-8-15-11(14)13-7-5-10(13)2/h9-10H,5-8H2,1-4H3
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230n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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260n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274819
PNG
(3-((Cyclopropanecarbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C10H19NO2/c1-8(11(2)3)6-7-13-10(12)9-4-5-9/h8-9H,4-7H2,1-3H3
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260n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275266
PNG
(3-((3,3-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-7-16-11(15)14-8-12(2,3)9-14/h10H,6-9H2,1-5H3
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300n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275306
PNG
(3-((1H-Pyrrole-1-carbonyloxy)-1-methylpropyl)dimet...)
Show SMILES CC(CCOC(=O)n1cccc1)N(C)C
Show InChI InChI=1S/C11H18N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h4-5,7-8,10H,6,9H2,1-3H3
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310n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274821
PNG
(3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...)
Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
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320n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha4beta2 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275264
PNG
(3-(dimethylamino)butyl piperidine-1-carboxylate | ...)
Show SMILES CC(CCOC(=O)N1CCCCC1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3
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350n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275307
PNG
(3-((Acetoxy)-1-methylpropyl)dimethylammonium Oxala...)
Show SMILES CC(CCOC(C)=O)N(C)C
Show InChI InChI=1S/C8H17NO2/c1-7(9(3)4)5-6-11-8(2)10/h7H,5-6H2,1-4H3
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370n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275262
PNG
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)
Show SMILES CC(CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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420n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274820
PNG
(3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethy...)
Show SMILES CC(CCOC(=O)C1CCC1)N(C)C
Show InChI InChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
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460n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(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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600n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275266
PNG
(3-((3,3-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-7-16-11(15)14-8-12(2,3)9-14/h10H,6-9H2,1-5H3
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720n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
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760n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
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1.60E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275263
PNG
(3-(dimethylamino) butyl pyrrolidine-1-carboxylate ...)
Show SMILES CC(CCOC(=O)N1CCCC1)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
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2.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275304
PNG
(3-((2-Methylazetidine-1-carbonyloxy)-1-methylpropy...)
Show SMILES CC(CCOC(=O)N1CCC1C)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-9(12(3)4)6-8-15-11(14)13-7-5-10(13)2/h9-10H,5-8H2,1-4H3
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2.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
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2.60E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275264
PNG
(3-(dimethylamino)butyl piperidine-1-carboxylate | ...)
Show SMILES CC(CCOC(=O)N1CCCCC1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3
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2.60E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275305
PNG
(3-((2,2-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CCC1(C)C)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-9-16-11(15)14-8-7-12(14,2)3/h10H,6-9H2,1-5H3
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3.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50274820
PNG
(3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethy...)
Show SMILES CC(CCOC(=O)C1CCC1)N(C)C
Show InChI InChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
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3.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275307
PNG
(3-((Acetoxy)-1-methylpropyl)dimethylammonium Oxala...)
Show SMILES CC(CCOC(C)=O)N(C)C
Show InChI InChI=1S/C8H17NO2/c1-7(9(3)4)5-6-11-8(2)10/h7H,5-6H2,1-4H3
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4.10E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50274819
PNG
(3-((Cyclopropanecarbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C10H19NO2/c1-8(11(2)3)6-7-13-10(12)9-4-5-9/h8-9H,4-7H2,1-3H3
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4.20E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275303
PNG
((S)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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7.10E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
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8.50E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274821
PNG
(3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...)
Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275306
PNG
(3-((1H-Pyrrole-1-carbonyloxy)-1-methylpropyl)dimet...)
Show SMILES CC(CCOC(=O)n1cccc1)N(C)C
Show InChI InChI=1S/C11H18N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h4-5,7-8,10H,6,9H2,1-3H3
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1.10E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-4-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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1.60E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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1.90E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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2.30E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275263
PNG
(3-(dimethylamino) butyl pyrrolidine-1-carboxylate ...)
Show SMILES CC(CCOC(=O)N1CCCC1)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
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2.50E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275305
PNG
(3-((2,2-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CCC1(C)C)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-9-16-11(15)14-8-7-12(14,2)3/h10H,6-9H2,1-5H3
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2.50E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50274821
PNG
(3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...)
Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275303
PNG
((S)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m0/s1
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275306
PNG
(3-((1H-Pyrrole-1-carbonyloxy)-1-methylpropyl)dimet...)
Show SMILES CC(CCOC(=O)n1cccc1)N(C)C
Show InChI InChI=1S/C11H18N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h4-5,7-8,10H,6,9H2,1-3H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274821
PNG
(3-((Benzoyloxy)-1-methylpropyl)dimethylammonium Ch...)
Show SMILES CC(CCOC(=O)c1ccccc1)N(C)C
Show InChI InChI=1S/C13H19NO2/c1-11(14(2)3)9-10-16-13(15)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
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1.90E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274819
PNG
(3-((Cyclopropanecarbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)C1CC1)N(C)C
Show InChI InChI=1S/C10H19NO2/c1-8(11(2)3)6-7-13-10(12)9-4-5-9/h8-9H,4-7H2,1-3H3
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2.80E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50274820
PNG
(3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethy...)
Show SMILES CC(CCOC(=O)C1CCC1)N(C)C
Show InChI InChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
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2.90E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275266
PNG
(3-((3,3-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-7-16-11(15)14-8-12(2,3)9-14/h10H,6-9H2,1-5H3
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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat recombinant alpha-3-beta-4 nAChR expressed in HEK293 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275306
PNG
(3-((1H-Pyrrole-1-carbonyloxy)-1-methylpropyl)dimet...)
Show SMILES CC(CCOC(=O)n1cccc1)N(C)C
Show InChI InChI=1S/C11H18N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h4-5,7-8,10H,6,9H2,1-3H3
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275304
PNG
(3-((2-Methylazetidine-1-carbonyloxy)-1-methylpropy...)
Show SMILES CC(CCOC(=O)N1CCC1C)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-9(12(3)4)6-8-15-11(14)13-7-5-10(13)2/h9-10H,5-8H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275266
PNG
(3-((3,3-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(C)(C)C1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-7-16-11(15)14-8-12(2,3)9-14/h10H,6-9H2,1-5H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275264
PNG
(3-(dimethylamino)butyl piperidine-1-carboxylate | ...)
Show SMILES CC(CCOC(=O)N1CCCCC1)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-11(13(2)3)7-10-16-12(15)14-8-5-4-6-9-14/h11H,4-10H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275305
PNG
(3-((2,2-Dimethylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CCC1(C)C)N(C)C
Show InChI InChI=1S/C12H24N2O2/c1-10(13(4)5)6-9-16-11(15)14-8-7-12(14,2)3/h10H,6-9H2,1-5H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275263
PNG
(3-(dimethylamino) butyl pyrrolidine-1-carboxylate ...)
Show SMILES CC(CCOC(=O)N1CCCC1)N(C)C
Show InChI InChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275307
PNG
(3-((Acetoxy)-1-methylpropyl)dimethylammonium Oxala...)
Show SMILES CC(CCOC(C)=O)N(C)C
Show InChI InChI=1S/C8H17NO2/c1-7(9(3)4)5-6-11-8(2)10/h7H,5-6H2,1-4H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275267
PNG
(3-((3,3-Difluoroazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES CC(CCOC(=O)N1CC(F)(F)C1)N(C)C
Show InChI InChI=1S/C10H18F2N2O2/c1-8(13(2)3)4-5-16-9(15)14-6-10(11,12)7-14/h8H,4-7H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50254538
PNG
(3-(dimethylamino)butyl methylcarbamate | CHEMBL466...)
Show SMILES CNC(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C8H18N2O2/c1-7(10(3)4)5-6-12-8(11)9-2/h7H,5-6H2,1-4H3,(H,9,11)
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50275262
PNG
(3-(dimethylamino)butyl dimethylcarbamate | 3-N,N-d...)
Show SMILES CC(CCOC(=O)N(C)C)N(C)C
Show InChI InChI=1S/C9H20N2O2/c1-8(10(2)3)6-7-13-9(12)11(4)5/h8H,6-7H2,1-5H3
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]MLA from rat alpha-7 nAChR/mouse 5HT3A chimera expressed in human tsA-201 cells


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 1.44E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-3-beta-4 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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n/an/an/an/a 7.10E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-4-beta-2 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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n/an/an/an/a>3.16E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-3-beta-4 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275308
PNG
(3-((Isobutyryloxy)-1-methylpropyl)dimethylammonium...)
Show SMILES CC(C)C(=O)OCCC(C)N(C)C
Show InChI InChI=1S/C10H21NO2/c1-8(2)10(12)13-7-6-9(3)11(4)5/h8-9H,6-7H2,1-5H3
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n/an/an/an/a 2.40E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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n/an/an/an/a 8.50E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-4-beta-2 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 7.00E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-4-beta-2 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Cholinergic, Nicotinic Alpha3Beta2


(Homo sapiens (Human))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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n/an/an/an/a>3.20E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-3-beta-4 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50275265
PNG
(3-((Azetidine-1-carbonyloxy)-1-methylpropyl)dimeth...)
Show SMILES CC(CCOC(=O)N1CCC1)N(C)C
Show InChI InChI=1S/C10H20N2O2/c1-9(11(2)3)5-8-14-10(13)12-6-4-7-12/h9H,4-8H2,1-3H3
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University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-7 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM50275302
PNG
((R)-3-((3-Methylazetidine-1-carbonyloxy)-1-methylp...)
Show SMILES C[C@H](CCOC(=O)N1CC(C)C1)N(C)C |r|
Show InChI InChI=1S/C11H22N2O2/c1-9-7-13(8-9)11(14)15-6-5-10(2)12(3)4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
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n/an/an/an/a>3.20E+5n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-7 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50275307
PNG
(3-((Acetoxy)-1-methylpropyl)dimethylammonium Oxala...)
Show SMILES CC(CCOC(C)=O)N(C)C
Show InChI InChI=1S/C8H17NO2/c1-7(9(3)4)5-6-11-8(2)10/h7H,5-6H2,1-4H3
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n/an/an/an/a 2.30E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 8.90E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3


(Rattus norvegicus (Rat))
BDBM50274820
PNG
(3-((Cyclobutanecarbonyloxy)-1-methylpropyl)dimethy...)
Show SMILES CC(CCOC(=O)C1CCC1)N(C)C
Show InChI InChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.50E+3n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat alpha-3-beta-4 nAChR expressed in HEK293 cells by FMP assay


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 8.30E+4n/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at human alpha-7 nAChR expressed in Xenopus oocytes by two-electrode voltage clamp technique


J Med Chem 51: 7380-95 (2009)


Article DOI: 10.1021/jm701625v
BindingDB Entry DOI: 10.7270/Q2DF6S4D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%