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PubMed code 23561269

Compile data set for download or QSAR
Found 53 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 protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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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0.600n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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8.10n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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11n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433565
PNG
(CHEMBL2381567)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C19H22N2O3/c1-21-11-5-8-17(21)14-24-19(22)16-9-10-18(20-12-16)23-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433570
PNG
(CHEMBL2381571)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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22n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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23n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433568
PNG
(CHEMBL2381564)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O2/c1-15-6-2-3-10(15)8-17-12(16)9-4-5-11(13)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433567
PNG
(CHEMBL2381565)
Show SMILES CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
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217n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433571
PNG
(CHEMBL2381569)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H16N2O4/c1-14-7-3-6-12(14)9-19-13(16)10-4-2-5-11(8-10)15(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3/t12-/m0/s1
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460n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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1.10E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
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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3.80E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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6.70E+3n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433570
PNG
(CHEMBL2381571)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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1.05E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433568
PNG
(CHEMBL2381564)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O2/c1-15-6-2-3-10(15)8-17-12(16)9-4-5-11(13)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1
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2.93E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433565
PNG
(CHEMBL2381567)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C19H22N2O3/c1-21-11-5-8-17(21)14-24-19(22)16-9-10-18(20-12-16)23-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
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2.95E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433567
PNG
(CHEMBL2381565)
Show SMILES CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
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4.87E+4n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433571
PNG
(CHEMBL2381569)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H16N2O4/c1-14-7-3-6-12(14)9-19-13(16)10-4-2-5-11(8-10)15(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3/t12-/m0/s1
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2.32E+5n/an/an/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
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 1.20n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 4.20n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
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+/m0/s1
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n/an/a 11n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
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+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433570
PNG
(CHEMBL2381571)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 78n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433565
PNG
(CHEMBL2381567)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C19H22N2O3/c1-21-11-5-8-17(21)14-24-19(22)16-9-10-18(20-12-16)23-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
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n/an/a 166n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50241748
PNG
(CHEMBL518059 | dihydro-beta-erythroidine)
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+/m0/s1
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n/an/a 410n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433568
PNG
(CHEMBL2381564)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O2/c1-15-6-2-3-10(15)8-17-12(16)9-4-5-11(13)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1
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n/an/a 528n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433567
PNG
(CHEMBL2381565)
Show SMILES CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
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n/an/a 759n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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n/an/a 1.02E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433571
PNG
(CHEMBL2381569)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H16N2O4/c1-14-7-3-6-12(14)9-19-13(16)10-4-2-5-11(8-10)15(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3/t12-/m0/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
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 7.60E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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PubMed
n/an/a 1.34E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 1.78E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433570
PNG
(CHEMBL2381571)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C13H16BrNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433566
PNG
(CHEMBL2381566)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1
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n/an/a 2.58E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2beta2 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curren...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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n/an/a 5.23E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433568
PNG
(CHEMBL2381564)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C12H15ClN2O2/c1-15-6-2-3-10(15)8-17-12(16)9-4-5-11(13)14-7-9/h4-5,7,10H,2-3,6,8H2,1H3/t10-/m0/s1
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n/an/a 5.85E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433565
PNG
(CHEMBL2381567)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)nc1
Show InChI InChI=1S/C19H22N2O3/c1-21-11-5-8-17(21)14-24-19(22)16-9-10-18(20-12-16)23-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m0/s1
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n/an/a 5.91E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433569
PNG
(CHEMBL2381563)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H16ClNO2/c1-15-8-2-3-12(15)9-17-13(16)10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/t12-/m0/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433567
PNG
(CHEMBL2381565)
Show SMILES CN1CCC[C@H]1COC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C16H18N2O2/c1-18-8-4-6-14(18)11-20-16(19)13-9-12-5-2-3-7-15(12)17-10-13/h2-3,5,7,9-10,14H,4,6,8,11H2,1H3/t14-/m0/s1
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n/an/a 9.73E+4n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50433572
PNG
(CHEMBL2381568)
Show SMILES CN1CCC[C@H]1COC(=O)c1ccccc1
Show InChI InChI=1S/C13H17NO2/c1-14-9-5-8-12(14)10-16-13(15)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
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n/an/a 3.13E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha4 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-7 subunit


(Homo sapiens (human))
BDBM50433571
PNG
(CHEMBL2381569)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H16N2O4/c1-14-7-3-6-12(14)9-19-13(16)10-4-2-5-11(8-10)15(17)18/h2,4-5,8,12H,3,6-7,9H2,1H3/t12-/m0/s1
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n/an/a 4.64E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Displacement of [125I]alpha-bungarotoxin from human alpha7 nAChR overexpressed in human SH-SY5Y cells after 120 mins by liquid scintillation spectrom...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
Nicotinic acetylcholine receptor alpha4/beta2/alpha5


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50433573
PNG
(CHEMBL2381570)
Show SMILES CN1CCC[C@H]1COC(=O)c1cccc(N)c1
Show InChI InChI=1S/C13H18N2O2/c1-15-7-3-6-12(15)9-17-13(16)10-4-2-5-11(14)8-10/h2,4-5,8,12H,3,6-7,9,14H2,1H3/t12-/m0/s1
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n/an/a 4.80E+5n/an/an/an/an/an/a



University of Chile

Curated by ChEMBL


Assay Description
Antagonist activity at (alpha4beta2)2alpha5 nAChR (unknown origin) expressed in Xenopus oocytes assessed as inhibition of acetylcholine-induced curre...


Bioorg Med Chem 21: 2687-94 (2013)


Article DOI: 10.1016/j.bmc.2013.03.024
BindingDB Entry DOI: 10.7270/Q2MW2JJQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%