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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'gonzález-cestari' and Initial = 'tf'   
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))
BDBM50419607
PNG
(CHEMBL1940793)
Show SMILES Fc1ccccc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C18H20FN3O3S/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)26(24,25)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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n/an/a 4.10E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419601
PNG
(CHEMBL1940786)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc3[nH]ncc3c2)CC1
Show InChI InChI=1S/C19H20FN5O3S/c20-15-1-4-17(5-2-15)29(27,28)25-9-7-24(8-10-25)13-19(26)22-16-3-6-18-14(11-16)12-21-23-18/h1-6,11-12H,7-10,13H2,(H,21,23)(H,22,26)
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n/an/a 6.60E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419609
PNG
(CHEMBL1940795)
Show SMILES Fc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-7-15(8-6-14)21-18(24)13-22-9-11-23(12-10-22)27(25,26)17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419605
PNG
(CHEMBL1940791)
Show SMILES Fc1ccccc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1F
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-1-3-7-16(14)21-18(24)13-22-9-11-23(12-10-22)27(25,26)17-8-4-2-6-15(17)20/h1-8H,9-13H2,(H,21,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50382406
PNG
(CHEMBL1606364)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-5-7-15(8-6-14)27(25,26)23-11-9-22(10-12-23)13-18(24)21-17-4-2-1-3-16(17)20/h1-8H,9-13H2,(H,21,24)
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n/an/a 9.30E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419613
PNG
(CHEMBL1940802)
Show SMILES O=C(CN1CCN(CC1)S(=O)(=O)c1ccccc1)Nc1ccccc1
Show InChI InChI=1S/C18H21N3O3S/c22-18(19-16-7-3-1-4-8-16)15-20-11-13-21(14-12-20)25(23,24)17-9-5-2-6-10-17/h1-10H,11-15H2,(H,19,22)
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n/an/a 9.60E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419614
PNG
(CHEMBL1940804)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Oc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C24H23FN2O4S/c25-20-10-12-21(13-11-20)32(29,30)27-16-14-26(15-17-27)18-24(28)31-23-9-5-4-8-22(23)19-6-2-1-3-7-19/h1-13H,14-18H2
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419611
PNG
(CHEMBL1940797)
Show SMILES COC(=O)c1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C20H22FN3O5S/c1-29-20(26)15-6-8-16(9-7-15)22-19(25)14-23-10-12-24(13-11-23)30(27,28)18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H,22,25)
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n/an/a 1.24E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419608
PNG
(CHEMBL1940794)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1
Show InChI InChI=1S/C19H22FN3O4S/c1-27-15-6-8-16(9-7-15)28(25,26)23-12-10-22(11-13-23)14-19(24)21-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
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n/an/a 1.34E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419603
PNG
(CHEMBL1940789)
Show SMILES Fc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19F2N3O3S/c19-14-1-5-16(6-2-14)21-18(24)13-22-9-11-23(12-10-22)27(25,26)17-7-3-15(20)4-8-17/h1-8H,9-13H2,(H,21,24)
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n/an/a 1.38E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419604
PNG
(CHEMBL1940790)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C18H20FN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-12-10-21(11-13-22)14-18(23)20-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,23)
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n/an/a 1.49E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419610
PNG
(CHEMBL1940796)
Show SMILES COc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C19H22FN3O4S/c1-27-16-8-6-15(7-9-16)21-19(24)14-22-10-12-23(13-11-22)28(25,26)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
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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
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419606
PNG
(CHEMBL1940792)
Show SMILES Fc1ccccc1NC(=O)CN1CCN(CC1)S(=O)(=O)c1cccnc1
Show InChI InChI=1S/C17H19FN4O3S/c18-15-5-1-2-6-16(15)20-17(23)13-21-8-10-22(11-9-21)26(24,25)14-4-3-7-19-12-14/h1-7,12H,8-11,13H2,(H,20,23)
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n/an/a 2.03E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419615
PNG
(CHEMBL1940805)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCN(CC(=O)Oc2ccccc2-c2ccccc2)CC1
Show InChI InChI=1S/C24H23FN2O4S/c25-21-11-5-7-13-23(21)32(29,30)27-16-14-26(15-17-27)18-24(28)31-22-12-6-4-10-20(22)19-8-2-1-3-9-19/h1-13H,14-18H2
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n/an/a 2.09E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419602
PNG
(CHEMBL1940788)
Show SMILES COc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H22FN3O4S/c1-27-17-6-4-16(5-7-17)21-19(24)14-22-10-12-23(13-11-22)28(25,26)18-8-2-15(20)3-9-18/h2-9H,10-14H2,1H3,(H,21,24)
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n/an/a 2.11E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419618
PNG
(CHEMBL1940803)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
Show InChI InChI=1S/C19H22FN3O4S/c1-27-17-6-8-18(9-7-17)28(25,26)23-12-10-22(11-13-23)14-19(24)21-16-4-2-15(20)3-5-16/h2-9H,10-14H2,1H3,(H,21,24)
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n/an/a 2.38E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
BDBM50419612
PNG
(CHEMBL1940800)
Show SMILES O=C(CN1CCN(CC1)S(=O)(=O)c1cccnc1)Nc1ccn[nH]1
Show InChI InChI=1S/C14H18N6O3S/c21-14(17-13-3-5-16-18-13)11-19-6-8-20(9-7-19)24(22,23)12-2-1-4-15-10-12/h1-5,10H,6-9,11H2,(H2,16,17,18,21)
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n/an/a 8.30E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as inhibition of epibatidine-induced calcium mobiliza...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2


(Homo sapiens (Human))
BDBM50419600
PNG
(CHEMBL1940799)
Show SMILES Fc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2ccn[nH]2)CC1
Show InChI InChI=1S/C15H18FN5O3S/c16-12-3-1-2-4-13(12)25(23,24)21-9-7-20(8-10-21)11-15(22)18-14-5-6-17-19-14/h1-6H,7-11H2,(H2,17,18,19,22)
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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
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as decrease in epibatidine-induced calcium mobilizati...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
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))
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))
BDBM50419617
PNG
(CHEMBL1940787)
Show SMILES Fc1ccc(cc1)S(=O)(=O)N1CCN(CC(=O)Nc2ccn[nH]2)CC1
Show InChI InChI=1S/C15H18FN5O3S/c16-12-1-3-13(4-2-12)25(23,24)21-9-7-20(8-10-21)11-15(22)18-14-5-6-17-19-14/h1-6H,7-11H2,(H2,17,18,19,22)
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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
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as decrease in epibatidine-induced calcium mobilizati...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
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
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))
BDBM50419599
PNG
(CHEMBL1940798)
Show SMILES OC(=O)c1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C19H20FN3O5S/c20-16-3-1-2-4-17(16)29(27,28)23-11-9-22(10-12-23)13-18(24)21-15-7-5-14(6-8-15)19(25)26/h1-8H,9-13H2,(H,21,24)(H,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
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as decrease in epibatidine-induced calcium mobilizati...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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))
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))
BDBM50419616
PNG
(CHEMBL1940801)
Show SMILES COc1ccc(NC(=O)CN2CCN(CC2)S(=O)(=O)c2cccnc2)cc1
Show InChI InChI=1S/C18H22N4O4S/c1-26-16-6-4-15(5-7-16)20-18(23)14-21-9-11-22(12-10-21)27(24,25)17-3-2-8-19-13-17/h2-8,13H,9-12,14H2,1H3,(H,20,23)
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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
Negative allosteric modulation of human nAChR alpha4beta2 expressed in HEK ts201 cells assessed as decrease in epibatidine-induced calcium mobilizati...


J Med Chem 54: 8681-92 (2011)


Article DOI: 10.1021/jm201294r
BindingDB Entry DOI: 10.7270/Q2057H6W
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