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Compile Data Set for Download or QSAR

Found 52 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3'   
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-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498034
PNG
(CHEMBL3329543)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9-/m1/s1
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14n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498051
PNG
(CHEMBL3329528)
Show SMILES O=C(C1CC1)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H14N2O/c12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h6-8,10H,1-5H2
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21n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498045
PNG
(CHEMBL3329537)
Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m0/s1
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27n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498033
PNG
(CHEMBL3329540)
Show SMILES F[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8-/m1/s1
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43n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498046
PNG
(CHEMBL3329538)
Show SMILES F[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m1/s1
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55n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498052
PNG
(CHEMBL3329546)
Show SMILES FC1(F)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C9H12F2N2O/c10-9(11)2-7(9)8(14)13-3-5-1-6(4-13)12-5/h5-7,12H,1-4H2
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75n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498048
PNG
(CHEMBL3329541)
Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9+/m1/s1
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92n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498038
PNG
(CHEMBL3329542)
Show SMILES C[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9+/m0/s1
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170n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498035
PNG
(CHEMBL3329530)
Show SMILES CCC(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C8H14N2O/c1-2-8(11)10-4-6-3-7(5-10)9-6/h6-7,9H,2-5H2,1H3
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190n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498040
PNG
(CHEMBL3329533)
Show SMILES O=C(C1CCC1)N1CC2CC(C1)N2
Show InChI InChI=1S/C10H16N2O/c13-10(7-2-1-3-7)12-5-8-4-9(6-12)11-8/h7-9,11H,1-6H2
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240n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
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250n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498050
PNG
(CHEMBL3329544)
Show SMILES C[C@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9-/m0/s1
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310n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498041
PNG
(CHEMBL3329531)
Show SMILES CCCC(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H16N2O/c1-2-3-9(12)11-5-7-4-8(6-11)10-7/h7-8,10H,2-6H2,1H3
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350n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498047
PNG
(CHEMBL3329539)
Show SMILES F[C@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8-/m0/s1
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490n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498032
PNG
(CHEMBL3329532)
Show SMILES CC(C)C(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H16N2O/c1-6(2)9(12)11-4-7-3-8(5-11)10-7/h6-8,10H,3-5H2,1-2H3
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580n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498044
PNG
(CHEMBL3329529)
Show SMILES CC(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C7H12N2O/c1-5(10)9-3-6-2-7(4-9)8-6/h6-8H,2-4H2,1H3
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MCE
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610n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498037
PNG
(CHEMBL3329535)
Show SMILES O=C(C1CC=CC1)N1CC2CC(C1)N2 |c:4|
Show InChI InChI=1S/C11H16N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h1-2,8-10,12H,3-7H2
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1.10E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498039
PNG
(CHEMBL3357969)
Show SMILES O=C(CC1CCC=C1)N1CC2CC(C1)N2 |c:6|
Show InChI InChI=1S/C12H18N2O/c15-12(5-9-3-1-2-4-9)14-7-10-6-11(8-14)13-10/h1,3,9-11,13H,2,4-8H2
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2.50E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498049
PNG
(CHEMBL3329534)
Show SMILES O=C(C1CCCC1)N1CC2CC(C1)N2
Show InChI InChI=1S/C11H18N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h8-10,12H,1-7H2
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2.90E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498036
PNG
(CHEMBL3329527)
Show SMILES O=C(C1CC1)N1CC2CCC(C1)N2
Show InChI InChI=1S/C10H16N2O/c13-10(7-1-2-7)12-5-8-3-4-9(6-12)11-8/h7-9,11H,1-6H2
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7.20E+3n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498043
PNG
(CHEMBL3329526)
Show SMILES O=C(C1CC1)N1CC2CC1CN2
Show InChI InChI=1S/C9H14N2O/c12-9(6-1-2-6)11-5-7-3-8(11)4-10-7/h6-8,10H,1-5H2
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1.00E+4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498042
PNG
(CHEMBL3329525 | EN300-30215)
Show SMILES O=C(C1CC1)N1CCNCC1
Show InChI InChI=1S/C8H14N2O/c11-8(7-1-2-7)10-5-3-9-4-6-10/h7,9H,1-6H2
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2.60E+4n/an/an/an/an/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells by liquid scintillation counting


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50445325
PNG
(CHEMBL3104238)
Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)[C@@H](C)O)C(C)C |r,wU:74.77,66.73,55.57,101.105,118.122,50.133,42.137,24.25,17.21,4.3,wD:59.60,86.88,107.111,122.127,46.134,129.136,32.33,8.8,2.2,91.98,(66.49,-32.86,;65.08,-32.24,;63.83,-33.16,;64.02,-34.68,;62.43,-32.53,;62.25,-31.01,;63.49,-30.09,;64.9,-30.71,;63.31,-28.57,;61.9,-27.95,;60.66,-28.86,;59.25,-28.25,;59.09,-26.73,;58.02,-29.17,;64.55,-27.65,;64.38,-26.11,;62.97,-25.51,;65.62,-25.21,;67,-25.9,;67.96,-24.53,;66.95,-23.19,;65.37,-23.73,;64.06,-22.94,;62.71,-23.69,;64.08,-21.4,;65.43,-20.65,;65.44,-19.11,;64.12,-18.32,;66.79,-18.36,;62.75,-20.6,;61.4,-21.35,;61.39,-22.89,;60.09,-20.56,;58.74,-21.31,;58.72,-22.85,;59.95,-23.78,;59.45,-25.22,;57.91,-25.2,;57.46,-23.74,;60.11,-19.03,;58.8,-18.23,;57.45,-18.99,;58.82,-16.7,;57.5,-15.9,;56.11,-15.26,;55.97,-13.72,;54.85,-16.13,;53.46,-15.48,;52.19,-16.37,;52.32,-17.91,;50.8,-15.72,;50.67,-14.18,;51.32,-12.42,;30.25,-15.39,;28.35,-17.6,;28.36,-19.15,;27.03,-19.93,;25.7,-19.18,;25.68,-17.64,;24.37,-19.97,;24.47,-21.5,;22.84,-21.86,;22,-20.42,;23.11,-19.17,;22.9,-17.64,;24.05,-16.63,;21.44,-17.14,;21.14,-15.62,;22.3,-14.61,;23.75,-15.11,;22,-13.11,;20.28,-18.15,;18.83,-17.66,;18.52,-16.14,;17.66,-18.67,;17.96,-20.17,;16.21,-18.17,;15.91,-16.66,;14.46,-16.17,;14.17,-14.65,;12.7,-14.16,;12.41,-12.65,;11.55,-15.17,;29.71,-19.9,;29.72,-21.45,;31.03,-19.12,;32.37,-19.88,;32.39,-21.41,;33.72,-22.17,;57.48,-36.19,;58.72,-35.28,;60.12,-35.9,;61.37,-34.98,;61.18,-33.46,;59.79,-32.84,;60.3,-37.42,;59.07,-38.34,;61.72,-38.04,;33.69,-19.09,;33.67,-17.55,;35.03,-19.85,;36.36,-19.06,;36.34,-17.53,;37.67,-16.75,;37.7,-19.81,;37.72,-21.36,;39.03,-19.03,;40.36,-19.79,;40.38,-21.33,;41.72,-22.09,;41.74,-23.62,;43.05,-21.29,;41.69,-19,;43.03,-19.76,;41.67,-17.46,;40.39,-16.39,;40.99,-14.83,;42.67,-14.94,;42.79,-16.48,;44.23,-17.05,;44.36,-18.59,;45.49,-16.18,;46.89,-16.82,;47.02,-18.36,;48.4,-19.01,;45.75,-19.24,;48.14,-15.94,;48.01,-14.41,;49.53,-16.59,;54.98,-17.67,;53.72,-18.55,;56.37,-18.32,;60.17,-15.94,;61.48,-16.75,;60.18,-14.41,)|
Show InChI InChI=1S/C79H125N27O25S4/c1-8-36(6)59-74(127)96-46(61(84)114)29-132-133-30-47-66(119)95-45(28-107)65(118)94-43(25-55(83)111)77(130)106-22-12-16-52(106)71(124)100-57(34(2)3)73(126)99-49(32-135-134-31-48(67(120)97-47)98-70(123)51-15-11-21-105(51)78(131)44(26-56(112)113)92-62(115)39(80)13-9-19-88-79(85)86)68(121)103-60(37(7)108)75(128)101-58(35(4)5)72(125)91-41(23-38-27-87-33-89-38)64(117)93-42(24-54(82)110)76(129)104-20-10-14-50(104)69(122)90-40(63(116)102-59)17-18-53(81)109/h27,33-37,39-52,57-60,107-108H,8-26,28-32,80H2,1-7H3,(H2,81,109)(H2,82,110)(H2,83,111)(H2,84,114)(H,87,89)(H,90,122)(H,91,125)(H,92,115)(H,93,117)(H,94,118)(H,95,119)(H,96,127)(H,97,120)(H,98,123)(H,99,126)(H,100,124)(H,101,128)(H,102,116)(H,103,121)(H,112,113)(H4,85,86,88)/t36-,37+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-/m0/s1
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n/an/a 0.950n/an/an/an/an/an/a



Hainan University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus oocytes assessed as inhibition of ACh-induced current by voltage clam...


J Med Chem 56: 9655-63 (2014)


Article DOI: 10.1021/jm401254c
BindingDB Entry DOI: 10.7270/Q22Z171M
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50170585
PNG
(CHEMBL406906)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(O)=O)C(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C73H117N23O24S4/c1-8-33(6)55(69(116)86-42(26-121)57(78)104)92-58(105)37(15-16-49(75)99)81-64(111)47-13-10-18-95(47)72(119)39(22-50(76)100)83-59(106)38(20-35-24-79-30-80-35)82-67(114)54(32(4)5)91-70(117)56(34(7)98)93-63(110)45(29-124)89-68(115)53(31(2)3)90-66(113)48-14-11-19-96(48)73(120)40(23-51(77)101)84-60(107)41(25-97)85-61(108)43(27-122)87-62(109)44(28-123)88-65(112)46-12-9-17-94(46)71(118)36(74)21-52(102)103/h24,30-34,36-48,53-56,97-98,121-124H,8-23,25-29,74H2,1-7H3,(H2,75,99)(H2,76,100)(H2,77,101)(H2,78,104)(H,79,80)(H,81,111)(H,82,114)(H,83,106)(H,84,107)(H,85,108)(H,86,116)(H,87,109)(H,88,112)(H,89,115)(H,90,113)(H,91,117)(H,92,105)(H,93,110)(H,102,103)/t33-,34+,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,53-,54-,55-,56-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibitory concentration against Nicotinic acetylcholine receptor alpha-6-alpha-3-beta-2-beta-3; Range is 0.7-1 nM


J Med Chem 48: 4705-45 (2005)


Article DOI: 10.1021/jm040219e
BindingDB Entry DOI: 10.7270/Q29W0G79
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50567435
PNG
(CHEMBL4872191)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|
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n/an/a 3.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50567435
PNG
(CHEMBL4872191)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current respons...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50547502
PNG
(CHEMBL4793300)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC3=O)C(=O)N1)NC(=O)[C@H](C)NC2=O |r|
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n/an/a 8.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6alpha3beta2beta3 expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current response...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00957
BindingDB Entry DOI: 10.7270/Q27S7SCT
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50445326
PNG
(CHEMBL3104239)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|
Show InChI InChI=1S/C65H98N22O21S4/c1-29(2)14-35-54(97)82-41(51(68)94)23-109-111-26-44-60(103)80-39(21-88)56(99)79-38(16-33-20-70-28-72-33)65(108)86-12-6-8-45(86)61(104)73-31(5)52(95)83-43(25-112-110-24-42(58(101)84-44)74-48(91)18-66)59(102)81-40(22-89)57(100)85-50(30(3)4)63(106)77-36(17-47(67)90)55(98)78-37(15-32-19-69-27-71-32)64(107)87-13-7-9-46(87)62(105)75-34(53(96)76-35)10-11-49(92)93/h19-20,27-31,34-46,50,88-89H,6-18,21-26,66H2,1-5H3,(H2,67,90)(H2,68,94)(H,69,71)(H,70,72)(H,73,104)(H,74,91)(H,75,105)(H,76,96)(H,77,106)(H,78,98)(H,79,99)(H,80,103)(H,81,102)(H,82,97)(H,83,95)(H,84,101)(H,85,100)(H,92,93)/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1
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n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50567438
PNG
(CHEMBL4865866)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N2 |r|
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50567437
PNG
(CHEMBL4871260)
Show SMILES [H][C@@]12CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)[C@H](C)NC2=O)[C@H](C)O)C(C)C)C(O)=O |r|
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50567433
PNG
(CHEMBL4869892)
Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r|
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n/an/a 111n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50567433
PNG
(CHEMBL4869892)
Show SMILES [H][C@]1(NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2)C(C)C)[C@@H](C)CC |r|
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n/an/a 135n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current respons...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Rattus norvegicus (Rat))
BDBM50567436
PNG
(CHEMBL4867647)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CCC(O)=O)NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r|
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n/an/a 269n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rat alpha6/alpha3beta2beta3 nAChR expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced current response ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01973
BindingDB Entry DOI: 10.7270/Q2CN77P3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498052
PNG
(CHEMBL3329546)
Show SMILES FC1(F)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C9H12F2N2O/c10-9(11)2-7(9)8(14)13-3-5-1-6(4-13)12-5/h5-7,12H,1-4H2
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n/an/an/an/a 100n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498053
PNG
(CHEMBL3329545)
Show SMILES CC1(C)CC1C(=O)N1CC2CC(C1)N2 |THB:5:7:10:13|
Show InChI InChI=1S/C11H18N2O/c1-11(2)4-9(11)10(14)13-5-7-3-8(6-13)12-7/h7-9,12H,3-6H2,1-2H3
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n/an/an/an/a 540n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498050
PNG
(CHEMBL3329544)
Show SMILES C[C@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9-/m0/s1
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n/an/an/an/a 3.80E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498038
PNG
(CHEMBL3329542)
Show SMILES C[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9+/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498041
PNG
(CHEMBL3329531)
Show SMILES CCCC(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H16N2O/c1-2-3-9(12)11-5-7-4-8(6-11)10-7/h7-8,10H,2-6H2,1H3
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n/an/an/an/a 300n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498048
PNG
(CHEMBL3329541)
Show SMILES C[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9+/m1/s1
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n/an/an/an/a 920n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498045
PNG
(CHEMBL3329537)
Show SMILES F[C@@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m0/s1
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n/an/an/an/a 62n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498037
PNG
(CHEMBL3329535)
Show SMILES O=C(C1CC=CC1)N1CC2CC(C1)N2 |c:4|
Show InChI InChI=1S/C11H16N2O/c14-11(8-3-1-2-4-8)13-6-9-5-10(7-13)12-9/h1-2,8-10,12H,3-7H2
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n/an/an/an/a 1.90E+3n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498046
PNG
(CHEMBL3329538)
Show SMILES F[C@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8+/m1/s1
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n/an/an/an/a 88n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498034
PNG
(CHEMBL3329543)
Show SMILES C[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C10H16N2O/c1-6-2-9(6)10(13)12-4-7-3-8(5-12)11-7/h6-9,11H,2-5H2,1H3/t6-,7?,8?,9-/m1/s1
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n/an/an/an/a 51n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498040
PNG
(CHEMBL3329533)
Show SMILES O=C(C1CCC1)N1CC2CC(C1)N2
Show InChI InChI=1S/C10H16N2O/c13-10(7-2-1-3-7)12-5-8-4-9(6-12)11-8/h7-9,11H,1-6H2
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n/an/an/an/a 370n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498044
PNG
(CHEMBL3329529)
Show SMILES CC(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C7H12N2O/c1-5(10)9-3-6-2-7(4-9)8-6/h6-8H,2-4H2,1H3
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n/an/an/an/a 750n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498051
PNG
(CHEMBL3329528)
Show SMILES O=C(C1CC1)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H14N2O/c12-9(6-1-2-6)11-4-7-3-8(5-11)10-7/h6-8,10H,1-5H2
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n/an/an/an/a 80n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498033
PNG
(CHEMBL3329540)
Show SMILES F[C@@H]1C[C@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8-/m1/s1
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n/an/an/an/a 53n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498032
PNG
(CHEMBL3329532)
Show SMILES CC(C)C(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C9H16N2O/c1-6(2)9(12)11-4-7-3-8(5-11)10-7/h6-8,10H,3-5H2,1-2H3
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n/an/an/an/a 1.60E+4n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498035
PNG
(CHEMBL3329530)
Show SMILES CCC(=O)N1CC2CC(C1)N2
Show InChI InChI=1S/C8H14N2O/c1-2-8(11)10-4-6-3-7(5-10)9-6/h6-7,9H,2-5H2,1H3
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n/an/an/an/a 180n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/alpha-6/beta-2/beta-3


(Homo sapiens (Human))
BDBM50498047
PNG
(CHEMBL3329539)
Show SMILES F[C@H]1C[C@@H]1C(=O)N1CC2CC(C1)N2 |r,THB:4:6:9:12|
Show InChI InChI=1S/C9H13FN2O/c10-8-2-7(8)9(13)12-3-5-1-6(4-12)11-5/h5-8,11H,1-4H2/t5?,6?,7-,8-/m0/s1
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n/an/an/an/a 620n/an/an/an/a



Targacept, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human alpha6/alpha3beta2beta3 nAChR transfected in CHO cells assessed as calcium flux by FLIPR assay


Eur J Med Chem 86: 60-74 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.019
BindingDB Entry DOI: 10.7270/Q2PK0K4H
More data for this
Ligand-Target Pair
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