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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor protein delta chain'   
Target
(Institution)
LigandTarget
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
Acetylcholine receptor


(Torpedo californica)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against Nicotinic acetylcholine receptor (nAchR)


J Med Chem 42: 1481-500 (1999)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111638
PNG
(CHEMBL16044 | N-[(S)-1-(11-Amino-undecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCN
Show InChI InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1
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n/an/a 460n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111638
PNG
(CHEMBL16044 | N-[(S)-1-(11-Amino-undecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCN
Show InChI InChI=1S/C24H41N3O3/c1-2-12-23(29)27-22(19-20-13-15-21(28)16-14-20)24(30)26-18-11-9-7-5-3-4-6-8-10-17-25/h13-16,22,28H,2-12,17-19,25H2,1H3,(H,26,30)(H,27,29)/t22-/m0/s1
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n/an/a 580n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50094299
PNG
(CHEMBL15998 | N-[(S)-1-(12-Amino-dodecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17-15-21)25(31)27-19-12-10-8-6-4-3-5-7-9-11-18-26/h14-17,23,29H,2-13,18-20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 930n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50094299
PNG
(CHEMBL15998 | N-[(S)-1-(12-Amino-dodecylcarbamoyl)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
Show InChI InChI=1S/C25H43N3O3/c1-2-13-24(30)28-23(20-21-14-16-22(29)17-15-21)25(31)27-19-12-10-8-6-4-3-5-7-9-11-18-26/h14-17,23,29H,2-13,18-20,26H2,1H3,(H,27,31)(H,28,30)/t23-/m0/s1
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n/an/a 1.53E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111636
PNG
(CHEMBL16259 | N-[(S)-1-(8-Amino-octylcarbamoyl)-2-...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Show InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
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n/an/a 5.03E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111639
PNG
(CHEMBL16184 | N-[(S)-1-(7-Amino-heptylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN
Show InChI InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-10-16)20(26)22-14-7-5-3-4-6-13-21/h9-12,18,24H,2-8,13-15,21H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 5.44E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111640
PNG
(CHEMBL16607 | N-[(S)-1-(10-Amino-decylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCN
Show InChI InChI=1S/C23H39N3O3/c1-2-11-22(28)26-21(18-19-12-14-20(27)15-13-19)23(29)25-17-10-8-6-4-3-5-7-9-16-24/h12-15,21,27H,2-11,16-18,24H2,1H3,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 8.66E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111636
PNG
(CHEMBL16259 | N-[(S)-1-(8-Amino-octylcarbamoyl)-2-...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCN
Show InChI InChI=1S/C21H35N3O3/c1-2-9-20(26)24-19(16-17-10-12-18(25)13-11-17)21(27)23-15-8-6-4-3-5-7-14-22/h10-13,19,25H,2-9,14-16,22H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1
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n/an/a 9.76E+3n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111639
PNG
(CHEMBL16184 | N-[(S)-1-(7-Amino-heptylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCN
Show InChI InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-10-16)20(26)22-14-7-5-3-4-6-13-21/h9-12,18,24H,2-8,13-15,21H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111637
PNG
(CHEMBL279418 | N-[(S)-1-(9-Amino-nonylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCN
Show InChI InChI=1S/C22H37N3O3/c1-2-10-21(27)25-20(17-18-11-13-19(26)14-12-18)22(28)24-16-9-7-5-3-4-6-8-15-23/h11-14,20,26H,2-10,15-17,23H2,1H3,(H,24,28)(H,25,27)/t20-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50111637
PNG
(CHEMBL279418 | N-[(S)-1-(9-Amino-nonylcarbamoyl)-2...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCN
Show InChI InChI=1S/C22H37N3O3/c1-2-10-21(27)25-20(17-18-11-13-19(26)14-12-18)22(28)24-16-9-7-5-3-4-6-8-15-23/h11-14,20,26H,2-10,15-17,23H2,1H3,(H,24,28)(H,25,27)/t20-/m0/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Muscle-type nicotinic acetylcholine receptor


(Homo sapiens)
BDBM50094298
PNG
(CHEMBL16117 | N-[(S)-1-{3-[4-(3-Amino-propylamino)...)
Show SMILES CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C23H41N5O3/c1-2-7-22(30)28-21(18-19-8-10-20(29)11-9-19)23(31)27-17-6-16-26-14-4-3-13-25-15-5-12-24/h8-11,21,25-26,29H,2-7,12-18,24H2,1H3,(H,27,31)(H,28,30)/t21-/m0/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



The Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human embryonic muscle type Nicotinic acetylcholine receptor specifically delta-subunit expres...


Bioorg Med Chem Lett 12: 1159-62 (2002)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
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 5.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50035398
PNG
((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
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n/an/an/an/a 4.11E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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n/an/an/an/a 200n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50061561
PNG
(CHEMBL132966 | Methyl-((E)-4-pyridin-3-yl-but-3-en...)
Show SMILES CNCC\C=C\c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+
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n/an/an/an/a>1.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
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/an/an/a 1.60E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50369150
PNG
(CHEMBL1788226)
Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1
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n/an/an/an/a 3.10E+4n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50056147
PNG
(2-Methyl-3-((S)-1-pyrrolidin-2-ylmethoxy)-pyridine...)
Show SMILES Cc1ncccc1OC[C@@H]1CCCN1
Show InChI InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1
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n/an/an/an/a 3.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50143282
PNG
((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
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n/an/an/an/a 1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at rat Nicotinic acetylcholine receptor subtype PC12 (ganglionic)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50049756
PNG
(3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridine |...)
Show SMILES CN1CCC[C@H]1COc1cccnc1
Show InChI InChI=1S/C11H16N2O/c1-13-7-3-4-10(13)9-14-11-5-2-6-12-8-11/h2,5-6,8,10H,3-4,7,9H2,1H3/t10-/m0/s1
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n/an/an/an/a 1.90E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at human Nicotinic acetylcholine receptor ganglionic type on IMR-32 cells


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50369150
PNG
(CHEMBL1788226)
Show SMILES CN1CCC[C@@H]1c1cncc(c1)C#C
Show InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3/t12-/m1/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



SIBIA Neurosciences Inc.

Curated by PDSP Ki Database


Assay Description
The compound was tested on recombinant human alpha3-beta4 cell lines of HUman embryonic kidney for nicotinic acetylcholine receptor agonist functiona...


J Med Chem 39: 3235-7 (1996)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50061562
PNG
((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1
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n/an/an/an/a 2.00E+6n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potencies and efficacies at human Nicotinic acetylcholine receptor subtype TE671 (muscle)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor


(Torpedo californica)
BDBM50061563
PNG
(4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridiniu...)
Show SMILES CC(=O)C1=CC[N+](C)(C)CC1
Show InChI InChI=1S/C9H16NO/c1-8(11)9-4-6-10(2,3)7-5-9/h4H,5-7H2,1-3H3/q+1
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n/an/an/an/a 100n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for functional potency and efficacy at human muscle type Nicotinic acetylcholine receptor in TE671 cells


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair