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Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50043221   
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-4/beta-2


(Homo sapiens (Human))
BDBM50369323
PNG
(MECAMYLAMINE)
Show SMILES CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C |r|
Show InChI InChI=1S/C11H21N/c1-10(2)8-5-6-9(7-8)11(10,3)12-4/h8-9,12H,5-7H2,1-4H3/t8-,9+,11+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437522
PNG
(CHEMBL2407120)
Show SMILES Cc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1
Show InChI InChI=1S/C16H16N2O2/c1-3-11-20-14-9-7-13(8-10-14)16(19)18-15-6-4-5-12(2)17-15/h3-10H,1,11H2,2H3,(H,17,18,19)
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n/an/a 6.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437521
PNG
(CHEMBL2407121)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C16H18N2O2/c1-3-11-20-14-9-7-13(8-10-14)16(19)18-15-6-4-5-12(2)17-15/h4-10H,3,11H2,1-2H3,(H,17,18,19)
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n/an/a 7.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50366799
PNG
(TUBOCURARINE | TUBOCURARINE CHLORIDE)
Show SMILES COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c23)cc7)N(C)CCc6cc5OC)c4 |r|
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41)/p+1/t28-,29+/m0/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437513
PNG
(CHEMBL2407128)
Show SMILES CCCNc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1
Show InChI InChI=1S/C18H21N3O2/c1-3-12-19-16-6-5-7-17(20-16)21-18(22)14-8-10-15(11-9-14)23-13-4-2/h4-11H,2-3,12-13H2,1H3,(H2,19,20,21,22)
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n/an/a 1.48E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437534
PNG
(CHEMBL2407134)
Show SMILES CCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1
Show InChI InChI=1S/C18H23N3O2/c1-3-12-19-16-6-5-7-17(20-16)21-18(22)14-8-10-15(11-9-14)23-13-4-2/h5-11H,3-4,12-13H2,1-2H3,(H2,19,20,21,22)
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n/an/a 1.54E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437518
PNG
(CHEMBL152025)
Show SMILES CCOc1ccc(cc1)C(=O)Nc1cc(C)cc(C)n1
Show InChI InChI=1S/C16H18N2O2/c1-4-20-14-7-5-13(6-8-14)16(19)18-15-10-11(2)9-12(3)17-15/h5-10H,4H2,1-3H3,(H,17,18,19)
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n/an/a 1.71E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437517
PNG
(CHEMBL2407124)
Show SMILES C=CCOc1ccc(cc1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C15H14N2O2/c1-2-11-19-13-8-6-12(7-9-13)15(18)17-14-5-3-4-10-16-14/h2-10H,1,11H2,(H,16,17,18)
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n/an/a 1.93E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437519
PNG
(CHEMBL2407123)
Show SMILES Cc1cccc(NC(=O)c2ccc(OCC#C)cc2)n1
Show InChI InChI=1S/C16H14N2O2/c1-3-11-20-14-9-7-13(8-10-14)16(19)18-15-6-4-5-12(2)17-15/h1,4-10H,11H2,2H3,(H,17,18,19)
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n/an/a 1.94E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437520
PNG
(CHEMBL2407122)
Show SMILES CC(=C)COc1ccc(cc1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C17H18N2O2/c1-12(2)11-21-15-9-7-14(8-10-15)17(20)19-16-6-4-5-13(3)18-16/h4-10H,1,11H2,2-3H3,(H,18,19,20)
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n/an/a 1.96E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437514
PNG
(CHEMBL2407127)
Show SMILES CCc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1
Show InChI InChI=1S/C17H18N2O2/c1-3-12-21-15-10-8-13(9-11-15)17(20)19-16-7-5-6-14(4-2)18-16/h3,5-11H,1,4,12H2,2H3,(H,18,19,20)
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n/an/a 2.05E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437512
PNG
(CHEMBL2407129)
Show SMILES CCCCNc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1
Show InChI InChI=1S/C19H23N3O2/c1-3-5-13-20-17-7-6-8-18(21-17)22-19(23)15-9-11-16(12-10-15)24-14-4-2/h4,6-12H,2-3,5,13-14H2,1H3,(H2,20,21,22,23)
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n/an/a 2.24E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437536
PNG
(CHEMBL2407132)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cnccn1
Show InChI InChI=1S/C14H15N3O2/c1-2-9-19-12-5-3-11(4-6-12)14(18)17-13-10-15-7-8-16-13/h3-8,10H,2,9H2,1H3,(H,16,17,18)
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n/an/a 2.32E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437535
PNG
(CHEMBL2407133)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(CC)n1
Show InChI InChI=1S/C17H20N2O2/c1-3-12-21-15-10-8-13(9-11-15)17(20)19-16-7-5-6-14(4-2)18-16/h5-11H,3-4,12H2,1-2H3,(H,18,19,20)
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n/an/a 3.76E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437533
PNG
(CHEMBL2407135)
Show SMILES CCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1
Show InChI InChI=1S/C19H25N3O2/c1-3-5-13-20-17-7-6-8-18(21-17)22-19(23)15-9-11-16(12-10-15)24-14-4-2/h6-12H,3-5,13-14H2,1-2H3,(H2,20,21,22,23)
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n/an/a 5.41E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437516
PNG
(CHEMBL2407125)
Show SMILES Brc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1
Show InChI InChI=1S/C15H13BrN2O2/c1-2-10-20-12-8-6-11(7-9-12)15(19)18-14-5-3-4-13(16)17-14/h2-9H,1,10H2,(H,17,18,19)
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n/an/a 7.01E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437511
PNG
(CHEMBL2407130)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Br)n1
Show InChI InChI=1S/C15H15BrN2O2/c1-2-10-20-12-8-6-11(7-9-12)15(19)18-14-5-3-4-13(16)17-14/h3-9H,2,10H2,1H3,(H,17,18,19)
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n/an/a 8.07E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437525
PNG
(CHEMBL2409792)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Nc2ccc(OC)cc2)n1
Show InChI InChI=1S/C22H23N3O3/c1-3-15-28-19-11-7-16(8-12-19)22(26)25-21-6-4-5-20(24-21)23-17-9-13-18(27-2)14-10-17/h4-14H,3,15H2,1-2H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437526
PNG
(CHEMBL2409791)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C21H20ClN3O2/c1-2-14-27-18-12-6-15(7-13-18)21(26)25-20-5-3-4-19(24-20)23-17-10-8-16(22)9-11-17/h3-13H,2,14H2,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437527
PNG
(CHEMBL2407141)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H20FN3O2/c1-2-14-27-18-12-6-15(7-13-18)21(26)25-20-5-3-4-19(24-20)23-17-10-8-16(22)9-11-17/h3-13H,2,14H2,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437528
PNG
(CHEMBL2407140)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Nc2cccc(F)c2)n1
Show InChI InChI=1S/C21H20FN3O2/c1-2-13-27-18-11-9-15(10-12-18)21(26)25-20-8-4-7-19(24-20)23-17-6-3-5-16(22)14-17/h3-12,14H,2,13H2,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437529
PNG
(CHEMBL2407139)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Nc2ccccc2F)n1
Show InChI InChI=1S/C21H20FN3O2/c1-2-14-27-16-12-10-15(11-13-16)21(26)25-20-9-5-8-19(24-20)23-18-7-4-3-6-17(18)22/h3-13H,2,14H2,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437524
PNG
(CHEMBL2409793)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(NCc2ccccc2)n1
Show InChI InChI=1S/C22H23N3O2/c1-2-15-27-19-13-11-18(12-14-19)22(26)25-21-10-6-9-20(24-21)23-16-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H2,23,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437531
PNG
(CHEMBL2407137)
Show SMILES CCCCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1
Show InChI InChI=1S/C21H29N3O2/c1-3-5-6-7-15-22-19-9-8-10-20(23-19)24-21(25)17-11-13-18(14-12-17)26-16-4-2/h8-14H,3-7,15-16H2,1-2H3,(H2,22,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437532
PNG
(CHEMBL2407136)
Show SMILES CCCCCNc1cccc(NC(=O)c2ccc(OCCC)cc2)n1
Show InChI InChI=1S/C20H27N3O2/c1-3-5-6-14-21-18-8-7-9-19(22-18)23-20(24)16-10-12-17(13-11-16)25-15-4-2/h7-13H,3-6,14-15H2,1-2H3,(H2,21,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437510
PNG
(CHEMBL2407131)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Cl)n1
Show InChI InChI=1S/C15H15ClN2O2/c1-2-10-20-12-8-6-11(7-9-12)15(19)18-14-5-3-4-13(16)17-14/h3-9H,2,10H2,1H3,(H,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437523
PNG
(CHEMBL2409794)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(n1)N1CCCCC1
Show InChI InChI=1S/C20H25N3O2/c1-2-15-25-17-11-9-16(10-12-17)20(24)22-18-7-6-8-19(21-18)23-13-4-3-5-14-23/h6-12H,2-5,13-15H2,1H3,(H,21,22,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437515
PNG
(CHEMBL2407126)
Show SMILES Clc1cccc(NC(=O)c2ccc(OCC=C)cc2)n1
Show InChI InChI=1S/C15H13ClN2O2/c1-2-10-20-12-8-6-11(7-9-12)15(19)18-14-5-3-4-13(16)17-14/h2-9H,1,10H2,(H,17,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50437530
PNG
(CHEMBL2407138)
Show SMILES CCCOc1ccc(cc1)C(=O)Nc1cccc(Nc2ccccc2)n1
Show InChI InChI=1S/C21H21N3O2/c1-2-15-26-18-13-11-16(12-14-18)21(25)24-20-10-6-9-19(23-20)22-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3,(H2,22,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha4beta2 nAChR expressed in HEK-tsA201 cells assessed as inhibition of epibatidine-induced intracellular calcium leve...


Bioorg Med Chem 21: 4730-43 (2013)


Article DOI: 10.1016/j.bmc.2013.03.082
BindingDB Entry DOI: 10.7270/Q2V12673
More data for this
Ligand-Target Pair