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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor protein alpha/beta/delta/gamma 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 protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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n/an/a 0.100n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023331
PNG
((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...)
Show SMILES C1CC2NC1CCc1ccncc21
Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2
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n/an/a 0.100n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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/a 1n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023331
PNG
((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...)
Show SMILES C1CC2NC1CCc1ccncc21
Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2
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n/an/a 1n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023330
PNG
(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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/a 4n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023328
PNG
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)
Show SMILES C1CNC(C1)c1cccnc1
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
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n/an/a 100n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to torpedo electroplax membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023327
PNG
(3-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca-...)
Show SMILES Cc1nccc2CCC3CCC(N3)c12
Show InChI InChI=1S/C12H16N2/c1-8-12-9(6-7-13-8)2-3-10-4-5-11(12)14-10/h6-7,10-11,14H,2-5H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023327
PNG
(3-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca-...)
Show SMILES Cc1nccc2CCC3CCC(N3)c12
Show InChI InChI=1S/C12H16N2/c1-8-12-9(6-7-13-8)2-3-10-4-5-11(12)14-10/h6-7,10-11,14H,2-5H2,1H3
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n/an/a 300n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023328
PNG
(3-Pyrrolidin-2-yl-pyridine | CHEMBL1132 | Nornicot...)
Show SMILES C1CNC(C1)c1cccnc1
Show InChI InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
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n/an/a 300n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023329
PNG
(13-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca...)
Show SMILES CN1C2CCC1c1cnccc1CC2
Show InChI InChI=1S/C12H16N2/c1-14-10-3-2-9-6-7-13-8-11(9)12(14)5-4-10/h6-8,10,12H,2-5H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of (-)-[3H]-nicotine binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50023329
PNG
(13-Methyl-4,13-diaza-tricyclo[8.2.1.0*2,7*]trideca...)
Show SMILES CN1C2CCC1c1cnccc1CC2
Show InChI InChI=1S/C12H16N2/c1-14-10-3-2-9-6-7-13-8-11(9)12(14)5-4-10/h6-8,10,12H,2-5H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Stauffer Chemical Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-MCC binding to rat brain membranes


J Med Chem 31: 506-9 (1988)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50125936
PNG
(3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic a...)
Show InChI InChI=1S/C16H18N4O2/c1-12(13-6-4-3-5-7-13)20-11-17-10-14(20)15(21)22-9-8-16(2)18-19-16/h3-7,10-12H,8-9H2,1-2H3/t12-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
Inhibition of currents when compound wascoapplied with acetylcholine to recombinant Torpedo nAcChoR (from 6 oocytes)


J Med Chem 46: 1257-65 (2003)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50125935
PNG
((R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic ac...)
Show SMILES CCOC(=O)c1cncn1[C@H](C)c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



Massachusetts General Hospital

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-[125I]-A-85,380 binding to alpha2 beta4 nicotinic acetylcholine receptor (nAChR) in rat brain


J Med Chem 46: 1257-65 (2003)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038413
PNG
(CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2
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18n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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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250n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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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314n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brain


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50166909
PNG
(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES C1C2CNCC1c1ccccc21
Show InChI InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
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370n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50166907
PNG
(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-...)
Show SMILES [O-][N+](=O)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12N2O2/c14-13(15)9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12H,3,5-6H2
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690n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038415
PNG
((2,3-Dihydroxy-benzyl)-trimethyl-ammonium; bromide...)
Show SMILES C[N+](C)(C)Cc1cccc(O)c1O
Show InChI InChI=1S/C10H15NO2/c1-11(2,3)7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3,(H-,12,13)/p+1
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2.80E+3n/an/an/an/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Binding affinity against nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50166908
PNG
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
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3.54E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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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6.27E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplax


J Med Chem 48: 3474-7 (2005)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brain


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089157
PNG
((3R,5S,7aR)-3-Heptyl-5-methyl-hexahydro-pyrrolizin...)
Show SMILES CCCCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29N/c1-3-4-5-6-7-8-14-11-12-15-10-9-13(2)16(14)15/h13-15H,3-12H2,1-2H3/t13-,14+,15+/m0/s1
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5.00E+4n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089159
PNG
((3R,5S)-3,5-Dibutyl-octahydro-indolizine | CHEMBL2...)
Show SMILES CCCC[C@@H]1CCC2CCC[C@H](CCCC)N12
Show InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15+,16?/m0/s1
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3.70E+5n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089158
PNG
((3R,5R)-3,5-Dibutyl-octahydro-indolizine | CHEMBL2...)
Show SMILES CCCC[C@@H]1CCC2CCC[C@@H](CCCC)N12
Show InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15-,16?/m1/s1
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4.20E+5n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089162
PNG
(7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCCC(C)=O)N12
Show InChI InChI=1S/C17H31NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h15-17H,3-13H2,1-2H3/t15-,16+,17+/m0/s1
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8.30E+5n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089164
PNG
((S)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@H](C)O)N12
Show InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15-,16+,17+/m0/s1
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3.10E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089163
PNG
((R)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N12
Show InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
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3.10E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089160
PNG
((S)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3...)
Show SMILES C[C@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29NO/c1-12-8-9-15-11-10-14(16(12)15)7-5-3-4-6-13(2)17/h12-15,17H,3-11H2,1-2H3/t12-,13-,14+,15+/m0/s1
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3.30E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50089161
PNG
((R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3...)
Show SMILES C[C@@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29NO/c1-12-8-9-15-11-10-14(16(12)15)7-5-3-4-6-13(2)17/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+/m0/s1
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8.30E+6n/an/an/an/an/an/an/an/a



Toyama Medical and Pharmaceutical University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californica


Bioorg Med Chem Lett 10: 1293-5 (2000)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50000690
PNG
(10,25-dimethoxy-15,15,30-trimethyl-(1S,16R)-7,23-d...)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)[NH+](C)CCc6cc5OC)c4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+2/t28-,29+/m0/s1
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n/an/an/an/a 3.20E+6n/an/an/an/a



University of California-San Diego

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit the binding of [125I]-alpha-bungarotoxin to nicotinic acetylcholine receptor on membranes prepared from t...


J Med Chem 34: 1798-804 (1991)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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 protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038416
PNG
((1,6-trimethyl ammonium)hexane; dibromide | CHEMBL...)
Show SMILES C[N+](C)(C)CCCCCC[N+](C)(C)C
Show InChI InChI=1S/C12H30N2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6/h7-12H2,1-6H3/q+2
PDB

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n/an/an/a 1.80E+3n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038414
PNG
(CHEMBL138569 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C28H44N2O4/c1-29(2,21-23-15-13-17-25(31)27(23)33)19-11-9-7-5-6-8-10-12-20-30(3,4)22-24-16-14-18-26(32)28(24)34/h13-18H,5-12,19-22H2,1-4H3,(H2-2,31,32,33,34)/p+2
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n/an/an/a 230n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(Torpedo californica)
BDBM50038413
PNG
(CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2
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n/an/an/a 18n/an/an/an/an/a



University of Toledo

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding constant for association with nicotinic acetylcholine receptor (nAChR)


J Med Chem 37: 4417-20 (1995)

Checked by Author
More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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
PDB

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n/an/an/an/a 4.11E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair
Acetylcholine receptor protein alpha/beta/delta/gamma chain


(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
PDB

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n/an/an/an/a 6.00E+4n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against Nicotinic Acetylcholine Receptor was determined by measuring the displacement of [3H]-cytisine from a preparation of whole r...


J Med Chem 40: 4169-94 (1998)

More data for this
Ligand-Target Pair