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PubMed code 15203153

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Neuronal acetylcholine receptor subunit alpha-10


(Rattus norvegicus)		BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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 1.30E+3n/an/an/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Binding affinity towards alpha3-beta4 neuronal nicotinic acetylcholine receptor

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(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 100n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451971
PNG
(CHEMBL330867)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)CC(C2CCCC2)C1=O
Show InChI InChI=1S/C31H38N2O4/c34-29-20-27(25-14-4-5-15-25)30(35)33(29)28-17-7-6-16-26(28)31(36)37-22-24-13-9-19-32(21-24)18-8-12-23-10-2-1-3-11-23/h1-3,6-7,10-11,16-17,24-25,27H,4-5,8-9,12-15,18-22H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451972
PNG
(CHEMBL125960)
Show SMILES CCCCCCCCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C34H46N2O4/c1-2-3-4-5-6-10-19-29-24-32(37)36(33(29)38)31-21-12-11-20-30(31)34(39)40-26-28-18-14-23-35(25-28)22-13-17-27-15-8-7-9-16-27/h7-9,11-12,15-16,20-21,28-29H,2-6,10,13-14,17-19,22-26H2,1H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149051
PNG
(2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-benzoic ac...)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H30N2O4/c33-28-24-14-4-5-15-25(24)29(34)32(28)27-17-7-6-16-26(27)30(35)36-21-23-13-9-19-31(20-23)18-8-12-22-10-2-1-3-11-22/h1-7,10-11,14-17,23H,8-9,12-13,18-21H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451974
PNG
(CHEMBL340342)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)CC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C33H36N2O4/c36-31-22-28(21-26-13-5-2-6-14-26)32(37)35(31)30-18-8-7-17-29(30)33(38)39-24-27-16-10-20-34(23-27)19-9-15-25-11-3-1-4-12-25/h1-8,11-14,17-18,27-28H,9-10,15-16,19-24H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451977
PNG
(CHEMBL122505)
Show SMILES CCCCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C30H38N2O4/c1-2-3-15-25-20-28(33)32(29(25)34)27-17-8-7-16-26(27)30(35)36-22-24-14-10-19-31(21-24)18-9-13-23-11-5-4-6-12-23/h4-8,11-12,16-17,24-25H,2-3,9-10,13-15,18-22H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149040
PNG
(Biphenyl-2-carboxylic acid 1-(3-phenyl-propyl)-pip...)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C28H31NO2/c30-28(27-18-8-7-17-26(27)25-15-5-2-6-16-25)31-22-24-14-10-20-29(21-24)19-9-13-23-11-3-1-4-12-23/h1-8,11-12,15-18,24H,9-10,13-14,19-22H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451973
PNG
(CHEMBL332769)
Show SMILES C=CCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C29H34N2O4/c1-2-10-24-19-27(32)31(28(24)33)26-16-7-6-15-25(26)29(34)35-21-23-14-9-18-30(20-23)17-8-13-22-11-4-3-5-12-22/h2-7,11-12,15-16,23-24H,1,8-10,13-14,17-21H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(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 2.00E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451978
PNG
(CHEMBL334123)
Show SMILES CC(C)C1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C29H36N2O4/c1-21(2)25-18-27(32)31(28(25)33)26-15-7-6-14-24(26)29(34)35-20-23-13-9-17-30(19-23)16-8-12-22-10-4-3-5-11-22/h3-7,10-11,14-15,21,23,25H,8-9,12-13,16-20H2,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50366779
PNG
(METHYLLYCACONITINE)
Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)|
Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149039
PNG
(Biphenyl-4-carboxylic acid 1-(3-phenyl-propyl)-pip...)
Show SMILES O=C(OCC1CCCN(CCCc2ccccc2)C1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H31NO2/c30-28(27-17-15-26(16-18-27)25-13-5-2-6-14-25)31-22-24-12-8-20-29(21-24)19-7-11-23-9-3-1-4-10-23/h1-6,9-10,13-18,24H,7-8,11-12,19-22H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149043
PNG
(2-Trifluoromethyl-benzoic acid 1-(3-phenyl-propyl)...)
Show SMILES FC(F)(F)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C23H26F3NO2/c24-23(25,26)21-13-5-4-12-20(21)22(28)29-17-19-11-7-15-27(16-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,19H,6-7,10-11,14-17H2
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149050
PNG
(2-Methoxy-benzoic acid 1-(3-phenyl-propyl)-piperid...)
Show SMILES COc1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C23H29NO3/c1-26-22-14-6-5-13-21(22)23(25)27-18-20-12-8-16-24(17-20)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,13-14,20H,7-8,11-12,15-18H2,1H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149041
PNG
(2-Chloro-benzoic acid 1-(3-phenyl-propyl)-piperidi...)
Show SMILES Clc1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C22H26ClNO2/c23-21-13-5-4-12-20(21)22(25)26-17-19-11-7-15-24(16-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,19H,6-7,10-11,14-17H2
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n/an/a 3.40E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451975
PNG
(CHEMBL121926)
Show SMILES CCC1CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C28H34N2O4/c1-2-23-18-26(31)30(27(23)32)25-15-7-6-14-24(25)28(33)34-20-22-13-9-17-29(19-22)16-8-12-21-10-4-3-5-11-21/h3-7,10-11,14-15,22-23H,2,8-9,12-13,16-20H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451970
PNG
(CHEMBL121745)
Show SMILES Fc1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C22H26FNO2/c23-21-13-5-4-12-20(21)22(25)26-17-19-11-7-15-24(16-19)14-6-10-18-8-2-1-3-9-18/h1-5,8-9,12-13,19H,6-7,10-11,14-17H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Inhibitory activity against nicotinic acetylcholine receptor alpha3-beta4

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50451976
PNG
(CHEMBL123367)
Show SMILES CC1C(C)C(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C28H34N2O4/c1-20-21(2)27(32)30(26(20)31)25-15-7-6-14-24(25)28(33)34-19-23-13-9-17-29(18-23)16-8-12-22-10-4-3-5-11-22/h3-7,10-11,14-15,20-21,23H,8-9,12-13,16-19H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149054
PNG
(2-(3,3-Dimethyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic...)
Show SMILES CC1(C)CC(=O)N(C1=O)c1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C28H34N2O4/c1-28(2)18-25(31)30(27(28)33)24-15-7-6-14-23(24)26(32)34-20-22-13-9-17-29(19-22)16-8-12-21-10-4-3-5-11-21/h3-7,10-11,14-15,22H,8-9,12-13,16-20H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149044
PNG
(2-Acetylamino-benzoic acid 1-(3-phenyl-propyl)-pip...)
Show SMILES CC(=O)Nc1ccccc1C(=O)OCC1CCCN(CCCc2ccccc2)C1
Show InChI InChI=1S/C24H30N2O3/c1-19(27)25-23-14-6-5-13-22(23)24(28)29-18-21-12-8-16-26(17-21)15-7-11-20-9-3-2-4-10-20/h2-6,9-10,13-14,21H,7-8,11-12,15-18H2,1H3,(H,25,27)
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n/an/a 8.40E+3n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4


(Homo sapiens (Human))		BDBM50149053
PNG
(2-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic aci...)
Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1 |(7.75,1.44,;6.86,.19,;5.32,.18,;4.84,-1.28,;3.38,-1.76,;6.1,-2.18,;7.33,-1.27,;8.82,-.87,;6.1,-3.72,;4.77,-4.49,;4.77,-6.03,;6.1,-6.8,;7.44,-6.03,;7.44,-4.49,;8.77,-3.71,;8.76,-2.17,;10.11,-4.46,;11.44,-3.69,;12.77,-4.46,;14.1,-3.69,;15.43,-4.46,;15.43,-6,;14.1,-6.77,;14.1,-8.29,;12.77,-9.08,;12.77,-10.62,;14.1,-11.37,;14.1,-12.91,;12.77,-13.68,;11.43,-12.91,;11.43,-11.37,;12.77,-6,)|
Show InChI InChI=1S/C26H30N2O4/c1-19-16-24(29)28(25(19)30)23-12-6-5-11-22(23)26(31)32-18-21-10-7-14-27(17-21)15-13-20-8-3-2-4-9-20/h2-6,8-9,11-12,16,21,29-30H,7,10,13-15,17-18H2,1H3
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n/an/a 1.14E+4n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Effect on alpha3-beta4 neuronal nicotinic acetylcholine receptor-stimulated adrenal catecholamine secretion

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50149053
PNG
(2-(3-Methyl-2,5-dioxo-pyrrolidin-1-yl)-benzoic aci...)
Show SMILES Cc1cc(O)n(c1O)-c1ccccc1C(=O)OCC1CCCN(CCc2ccccc2)C1 |(7.75,1.44,;6.86,.19,;5.32,.18,;4.84,-1.28,;3.38,-1.76,;6.1,-2.18,;7.33,-1.27,;8.82,-.87,;6.1,-3.72,;4.77,-4.49,;4.77,-6.03,;6.1,-6.8,;7.44,-6.03,;7.44,-4.49,;8.77,-3.71,;8.76,-2.17,;10.11,-4.46,;11.44,-3.69,;12.77,-4.46,;14.1,-3.69,;15.43,-4.46,;15.43,-6,;14.1,-6.77,;14.1,-8.29,;12.77,-9.08,;12.77,-10.62,;14.1,-11.37,;14.1,-12.91,;12.77,-13.68,;11.43,-12.91,;11.43,-11.37,;12.77,-6,)|
Show InChI InChI=1S/C26H30N2O4/c1-19-16-24(29)28(25(19)30)23-12-6-5-11-22(23)26(31)32-18-21-10-7-14-27(17-21)15-13-20-8-3-2-4-9-20/h2-6,8-9,11-12,16,21,29-30H,7,10,13-15,17-18H2,1H3
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n/an/a 1.77E+5n/an/an/an/an/an/a



Ohio University

Curated by ChEMBL


Assay Description
Affinity for nicotinic acetylcholine receptor alpha7

Bioorg Med Chem Lett 14: 3739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.001
BindingDB Entry DOI: 10.7270/Q28G8M80
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%