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PubMed code 26225816

Compile data set for download or QSAR
Found 25 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 subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114008
PNG
(CHEMBL3603931)
Show SMILES CN1CC[C@H]1COc1cccc(O)c1 |r|
Show InChI InChI=1S/C11H15NO2/c1-12-6-5-9(12)8-14-11-4-2-3-10(13)7-11/h2-4,7,9,13H,5-6,8H2,1H3/t9-/m0/s1
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 29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50113482
PNG
(CHEMBL3603941)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccc(O)c1 |r|
Show InChI InChI=1S/C13H19NO2/c1-10(13-7-4-8-14(13)2)16-12-6-3-5-11(15)9-12/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3/t10-,13+/m1/s1
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 57n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114006
PNG
(CHEMBL3603929)
Show SMILES CN1CCC[C@H]1COc1cccc(O)c1 |r|
Show InChI InChI=1S/C12H17NO2/c1-13-7-3-4-10(13)9-15-12-6-2-5-11(14)8-12/h2,5-6,8,10,14H,3-4,7,9H2,1H3/t10-/m0/s1
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 119n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114005
PNG
(CHEMBL3603930)
Show SMILES Oc1cccc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C11H15NO2/c13-10-4-1-5-11(7-10)14-8-9-3-2-6-12-9/h1,4-5,7,9,12-13H,2-3,6,8H2/t9-/m0/s1
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 212n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(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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 234n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114000
PNG
(CHEMBL3603933)
Show SMILES CN1CCC[C@H]1COc1cncc(O)c1 |r|
Show InChI InChI=1S/C11H16N2O2/c1-13-4-2-3-9(13)8-15-11-5-10(14)6-12-7-11/h5-7,9,14H,2-4,8H2,1H3/t9-/m0/s1
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 321n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114004
PNG
(CHEMBL3603947)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1 |r|
Show InChI InChI=1S/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12+/m1/s1
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 388n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114019
PNG
(CHEMBL3603942)
Show SMILES [H][C@]1(CCCN1C)[C@H](C)Oc1cccc(O)c1 |r|
Show InChI InChI=1S/C13H19NO2/c1-10(13-7-4-8-14(13)2)16-12-6-3-5-11(15)9-12/h3,5-6,9-10,13,15H,4,7-8H2,1-2H3/t10-,13-/m0/s1
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 743n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114015
PNG
(CHEMBL3603939)
Show SMILES COc1ccc(O)cc1OC[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C13H19NO3/c1-14-7-3-4-10(14)9-17-13-8-11(15)5-6-12(13)16-2/h5-6,8,10,15H,3-4,7,9H2,1-2H3/t10-/m0/s1
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 1.15E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114007
PNG
(CHEMBL3603932)
Show SMILES Oc1cccc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C10H13NO2/c12-9-2-1-3-10(6-9)13-7-8-4-5-11-8/h1-3,6,8,11-12H,4-5,7H2/t8-/m0/s1
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 1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50113999
PNG
(CHEMBL3603934)
Show SMILES Oc1cncc(OC[C@@H]2CCCN2)c1 |r|
Show InChI InChI=1S/C10H14N2O2/c13-9-4-10(6-11-5-9)14-7-8-2-1-3-12-8/h4-6,8,12-13H,1-3,7H2/t8-/m0/s1
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 3.50E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114003
PNG
(CHEMBL3603948)
Show SMILES [H][C@]1(CCCN1C)[C@H](C)Oc1cccnc1 |r|
Show InChI InChI=1S/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12-/m0/s1
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 6.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114016
PNG
(CHEMBL3603938)
Show SMILES CC(Oc1ccccc1)C1CCCN1C
Show InChI InChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3
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 8.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114011
PNG
(CHEMBL3603945)
Show SMILES COc1ccncc1OC[C@@H]1CCCN1C |r|
Show InChI InChI=1S/C12H18N2O2/c1-14-7-3-4-10(14)9-16-12-8-13-6-5-11(12)15-2/h5-6,8,10H,3-4,7,9H2,1-2H3/t10-/m0/s1
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 9.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114014
PNG
(CHEMBL3603937)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1ccccc1 |r|
Show InChI InChI=1S/C13H19NO/c1-11(13-9-6-10-14(13)2)15-12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3/t11-,13+/m1/s1
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 1.52E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Rattus norvegicus (Rat))		BDBM50114013
PNG
(CHEMBL3603946)
Show SMILES COc1ccncc1OC[C@@H]1CCCN1 |r|
Show InChI InChI=1S/C11H16N2O2/c1-14-10-4-6-12-7-11(10)15-8-9-3-2-5-13-9/h4,6-7,9,13H,2-3,5,8H2,1H3/t9-/m0/s1
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 2.15E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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 1.00E+5n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR in (alpha4)3(beta2)2 stoichiometry form

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50357064
PNG
(CHEMBL1917231)
Show SMILES CN1CCC[C@H]1[C@@H]1COc2ccc(O)cc2O1 |r|
Show InChI InChI=1S/C13H17NO3/c1-14-6-2-3-10(14)13-8-16-11-5-4-9(15)7-12(11)17-13/h4-5,7,10,13,15H,2-3,6,8H2,1H3/t10-,13-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50382474
PNG
(CHEMBL2024096 | US9303017, Sazetidine-A)
Show SMILES OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1 |r|
Show InChI InChI=1S/C15H20N2O2/c18-8-4-2-1-3-5-13-9-15(11-16-10-13)19-12-14-6-7-17-14/h9-11,14,17-18H,1-2,4,6-8,12H2/t14-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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 1.00E+3n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR in (alpha4)2(beta2)3 stoichiometry form

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50114004
PNG
(CHEMBL3603947)
Show SMILES [H][C@]1(CCCN1C)[C@@H](C)Oc1cccnc1 |r|
Show InChI InChI=1S/C12H18N2O/c1-10(12-6-4-8-14(12)2)15-11-5-3-7-13-9-11/h3,5,7,9-10,12H,4,6,8H2,1-2H3/t10-,12+/m1/s1
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n/an/an/an/a 13n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50114006
PNG
(CHEMBL3603929)
Show SMILES CN1CCC[C@H]1COc1cccc(O)c1 |r|
Show InChI InChI=1S/C12H17NO2/c1-13-7-3-4-10(13)9-15-12-6-2-5-11(14)8-12/h2,5-6,8,10,14H,3-4,7,9H2,1H3/t10-/m0/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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 400n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR high affinity form expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holdin...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(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 1.00E+5n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR low affinity form expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))		BDBM50114000
PNG
(CHEMBL3603933)
Show SMILES CN1CCC[C@H]1COc1cncc(O)c1 |r|
Show InChI InChI=1S/C11H16N2O2/c1-13-4-2-3-9(13)8-15-11-5-10(14)6-12-7-11/h5-7,9,14H,2-4,8H2,1H3/t9-/m0/s1
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n/an/an/an/a 7.30E+4n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 ...

J Med Chem 58: 6665-77 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00904
BindingDB Entry DOI: 10.7270/Q2CF9RX4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%