Compile Data Set for Download or QSAR
Found 145 Enz. Inhib. hit(s) with Target = 'Acetylcholine receptor subunit alpha/beta/delta/gamma'
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50049757(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
Affinity DataKi:  2.70nMAssay Description:Binding potency for Nicotinic acetylcholine receptor alpha-7 (rat brain)More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50038413(CHEMBL136284 | N,N'-(2,3-dihydroxylbenzyl)-N,N,N',...)
Show SMILES C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
Show InChI InChI=1S/C24H36N2O4/c1-25(2,17-19-11-9-13-21(27)23(19)29)15-7-5-6-8-16-26(3,4)18-20-12-10-14-22(28)24(20)30/h9-14H,5-8,15-18H2,1-4H3,(H2-2,27,28,29,30)/p+2
Affinity DataKi:  18nMAssay Description:Binding affinity against nicotinic acetylcholine receptor (nAChR)Checked by AuthorMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50143282((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...)
Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1
Affinity DataKi:  250nMAssay Description:Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplaxMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50061562((12R,13aR)-12-Methoxy-1,4,5,6,9,11,12,13-octahydro...)
Show SMILES CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1
Show InChI InChI=1S/C16H21NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2,13H,3-10H2,1H3/t13-,16-/m1/s1
Affinity DataKi:  314nMAssay Description:Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brainMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50220046(CHEMBL382243 | trimethyl({20-[(trimethylazaniumyl)...)
Show SMILES C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31
Show InChI InChI=1S/C26H34N4/c1-29(2,3)17-21-19-11-7-9-13-23(19)27-16-26-22(18-30(4,5)6)20-12-8-10-14-24(20)28(26)15-25(21)27/h7-14H,15-18H2,1-6H3/q+2
Affinity DataKi:  331nMAssay Description:Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes bufferMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50166909(10-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-trien...)
Show SMILES C1C2CNCC1c1ccccc21
Show InChI InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
Affinity DataKi:  370nMAssay Description:Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplaxMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50220045(CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azan...)
Show SMILES C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31
Show InChI InChI=1S/C30H38N4/c1-7-17-33(3,4)21-25-23-13-9-11-15-27(23)31-20-30-26(22-34(5,6)18-8-2)24-14-10-12-16-28(24)32(30)19-29(25)31/h7-16H,1-2,17-22H2,3-6H3/q+2
Affinity DataKi:  550nMAssay Description:Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes bufferMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50166907(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-...)
Show SMILES [O-][N+](=O)c1ccc2C3CC(CNC3)c2c1
Show InChI InChI=1S/C11H12N2O2/c14-13(15)9-1-2-10-7-3-8(6-12-5-7)11(10)4-9/h1-2,4,7-8,12H,3,5-6H2
Affinity DataKi:  690nMAssay Description:Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplaxMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50475690(4,4''-Diallylcaracurinium V Dibromide | Diallylcar...)
Show SMILES [Br-].[Br-].C=CC[N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(CC=C)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C44H50N4O2.2BrH/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48;;/h3-14,29-30,35-42H,1-2,15-26H2;2*1H/q+2;;/p-2/t29-,30-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,47?,48?;;/m0../s1
Affinity DataKi:  1.51E+3nMAssay Description:Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes bufferMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50038415((2,3-Dihydroxy-benzyl)-trimethyl-ammonium; bromide...)
Show SMILES C[N+](C)(C)Cc1cccc(O)c1O
Show InChI InChI=1S/C10H15NO2/c1-11(2,3)7-8-5-4-6-9(12)10(8)13/h4-6H,7H2,1-3H3,(H-,12,13)/p+1
Affinity DataKi:  2.80E+3nMAssay Description:Binding affinity against nicotinic acetylcholine receptor (nAChR)Checked by AuthorMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50096712(3-(1H-Indole-3-carbonyloxy)-8,8-dimethyl-8-azonia-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H22N2O2/c1-20(2)12-7-8-13(20)10-14(9-12)22-18(21)16-11-19-17-6-4-3-5-15(16)17/h3-6,11-14H,7-10H2,1-2H3/p+1
Affinity DataKi:  3.00E+3nMAssay Description:In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determinedMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50166908(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)
Show SMILES C1C2CNCC1c1cc3nccnc3cc21
Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
Affinity DataKi:  3.54E+3nMAssay Description:Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplaxMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50475689(4,4''-Dimethylcaracurinium V Dichloride | Dimethyl...)
Show SMILES [Cl-].[Cl-].C[N+]12CC[C@@]34[C@@H]1C[C@@H]1[C@@H]5[C@@H]3N([C@@H]3OCC=C6C[N+]7(C)CC[C@@]89[C@@H]7C[C@@H]6[C@@H]3[C@@H]8N([C@@H]5OCC=C1C2)c1ccccc91)c1ccccc41
Show InChI InChI=1S/C40H46N4O2.2ClH/c1-43-15-13-39-27-7-3-5-9-29(27)41-35(39)33-25(19-31(39)43)23(21-43)11-17-45-37(33)42-30-10-6-4-8-28(30)40-14-16-44(2)22-24-12-18-46-38(41)34(36(40)42)26(24)20-32(40)44;;/h3-12,25-26,31-38H,13-22H2,1-2H3;2*1H/q+2;;/p-2/t25-,26-,31-,32-,33+,34+,35-,36-,37+,38+,39+,40+,43?,44?;;/m0../s1
Affinity DataKi:  5.25E+3nMAssay Description:Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes bufferMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKi:  5.50E+3nMAssay Description:In vitro Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 was determinedMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKi:  6.27E+3nMAssay Description:Inhibition of [125I]alpha-bungarotoxin binding to nicotinic acetylcholine receptor alpha1 beta gamma delta of electroplaxMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataKi: >1.00E+4nMAssay Description:Binding potency for Nicotinic acetylcholine receptor alpha4-beta2 (rat brain)More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50035398((S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidin...)
Show SMILES CN1CCC[C@H]1c1cc(C)no1
Show InChI InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
Affinity DataKi: >1.00E+4nMAssay Description:Affinity for Nicotinic acetylcholine receptor alpha4-beta2 in rat brainMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50220060((14-dimethylaminomethyl-6H,13H-pyrazino[1,2-a;4,5-...)
Show SMILES CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31
Show InChI InChI=1S/C24H28N4/c1-25(2)13-19-17-9-5-7-11-21(17)27-16-24-20(14-26(3)4)18-10-6-8-12-22(18)28(24)15-23(19)27/h5-12H,13-16H2,1-4H3
Affinity DataKi:  1.07E+4nMAssay Description:Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes bufferMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50108392((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+
Affinity DataKi:  2.70E+4nMAssay Description:In vitro Binding affinity towards alpha-1-beta-1-gamma delta nAChR was determinedMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089157((3R,5S,7aR)-3-Heptyl-5-methyl-hexahydro-pyrrolizin...)
Show SMILES CCCCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29N/c1-3-4-5-6-7-8-14-11-12-15-10-9-13(2)16(14)15/h13-15H,3-12H2,1-2H3/t13-,14+,15+/m0/s1
Affinity DataKi:  5.00E+4nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50025037(CHEBI:3382 | Caracurine V)
Show SMILES C1C[C@@]23[C@@H]4C[C@@H]5[C@@H]6[C@@H]2N([C@@H]2OCC=C7CN8CC[C@@]9%10[C@@H]8C[C@@H]7[C@@H]2[C@@H]9N([C@@H]6OCC=C5CN14)c1ccccc%101)c1ccccc31
Show InChI InChI=1S/C38H40N4O2/c1-3-7-27-25(5-1)37-11-13-39-19-21-10-16-44-36-31(23(21)17-29(37)39)33(37)41(27)35-32-24-18-30-38(12-14-40(30)20-22(24)9-15-43-35)26-6-2-4-8-28(26)42(36)34(32)38/h1-10,23-24,29-36H,11-20H2/t23-,24-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+/m0/s1
Affinity DataKi: <1.00E+5nMAssay Description:Displacement of (+/-)-[3H]epibatidine from muscle type nAChR of Torpedo californica in hepes bufferMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089159((3R,5S)-3,5-Dibutyl-octahydro-indolizine | CHEMBL2...)
Show SMILES CCCC[C@@H]1CCC2CCC[C@H](CCCC)N12
Show InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15+,16?/m0/s1
Affinity DataKi:  3.70E+5nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089158((3R,5R)-3,5-Dibutyl-octahydro-indolizine | CHEMBL2...)
Show SMILES CCCC[C@@H]1CCC2CCC[C@@H](CCCC)N12
Show InChI InChI=1S/C16H31N/c1-3-5-8-14-10-7-11-16-13-12-15(17(14)16)9-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15-,16?/m1/s1
Affinity DataKi:  4.20E+5nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089162(7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCCC(C)=O)N12
Show InChI InChI=1S/C17H31NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h15-17H,3-13H2,1-2H3/t15-,16+,17+/m0/s1
Affinity DataKi:  8.30E+5nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089163((R)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N12
Show InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
Affinity DataKi:  3.10E+6nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089164((S)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3...)
Show SMILES CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@H](C)O)N12
Show InChI InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15-,16+,17+/m0/s1
Affinity DataKi:  3.10E+6nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089160((S)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3...)
Show SMILES C[C@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29NO/c1-12-8-9-15-11-10-14(16(12)15)7-5-3-4-6-13(2)17/h12-15,17H,3-11H2,1-2H3/t12-,13-,14+,15+/m0/s1
Affinity DataKi:  3.30E+6nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50089161((R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3...)
Show SMILES C[C@@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
Show InChI InChI=1S/C15H29NO/c1-12-8-9-15-11-10-14(16(12)15)7-5-3-4-6-13(2)17/h12-15,17H,3-11H2,1-2H3/t12-,13+,14+,15+/m0/s1
Affinity DataKi:  8.30E+6nMAssay Description:Compound was evaluated for inhibition of [3H]-TCP binding to Nicotinic acetylcholine receptor of Torpedo californicaMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50023330(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
Affinity DataIC50: 0.100nMAssay Description:Inhibition of (-)-[3H]-nicotine binding to rat brain membranesMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50023331((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...)
Show SMILES C1CC2NC1CCc1ccncc21
Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2
Affinity DataIC50: 0.100nMAssay Description:Inhibition of [3H]-MCC binding to torpedo electroplax membranesMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50023331((+)-pyrido[3,4-b]homotropane | (+/-)-pyrido[3,4-b]...)
Show SMILES C1CC2NC1CCc1ccncc21
Show InChI InChI=1S/C11H14N2/c1-2-9-3-4-11(13-9)10-7-12-6-5-8(1)10/h5-7,9,11,13H,1-4H2
Affinity DataIC50: 1nMAssay Description:inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranesMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322509((+/-)3,5,5-Trimethyl-2-(pyridin-3-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1cccnc1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-5-4-6-13-7-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
Affinity DataIC50: 1nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322508((+/-)3,5,5-Trimethyl-2-(pyridin-2-yl)morpholin-2-o...)
Show SMILES CC1NC(C)(C)COC1(O)c1ccccn1
Show InChI InChI=1S/C12H18N2O2/c1-9-12(15,10-6-4-5-7-13-10)16-8-11(2,3)14-9/h4-7,9,14-15H,8H2,1-3H3
Affinity DataIC50: 1nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322530((2S,3S)-2-Phenyl-3,5,5-trimethylmorpholin-2-ol | C...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1
Show InChI InChI=1S/C13H19NO2/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10/h4-8,10,14-15H,9H2,1-3H3/t10-,13+/m0/s1
Affinity DataIC50: 1nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322529((2S,3S)-2-(3-Fluorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1
Show InChI InChI=1S/C13H18FNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
Affinity DataIC50: 1nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322512((2S,3S)-2-(3-Chlorophenyl)-5,5-dimethyl-3-propyl-m...)
Show SMILES CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H22ClNO2/c1-4-6-13-15(18,19-10-14(2,3)17-13)11-7-5-8-12(16)9-11/h5,7-9,13,17-18H,4,6,10H2,1-3H3/t13-,15-/m0/s1
Affinity DataIC50: 1nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataIC50: 1nMAssay Description:Inhibition of [3H]-MCC binding to rat brain membranesMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50023330(1-(9-Aza-bicyclo[4.2.1]non-2-en-2-yl)-ethanone | 1...)
Show SMILES CC(=O)C1=CCCC2CCC1N2
Show InChI InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3
Affinity DataIC50: 1nMAssay Description:inhibition of (-)-[3H]-nicotine binding to torpedo electroplax membranesMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322522((2S,3S)-3,5,5-Trimethyl-2-(4-methylphenyl)morpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(C)cc1
Show InChI InChI=1S/C14H21NO2/c1-10-5-7-12(8-6-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
Affinity DataIC50: 2nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Torpedo californica)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM82070(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
Affinity DataIC50: 4nMAssay Description:Inhibition of (-)-[3H]-nicotine binding to rat brain membranesMore data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Rattus norvegicus)
Universit£ de Montpellier

Curated by ChEMBL
LigandPNGBDBM50547500(CHEMBL4759352)
Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)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](N)CC(N)=O)C(=O)N2)NC1=O)C(N)=O
Affinity DataIC50: 6.60nMAssay Description:Inhibition of rat (alpha1)2betagammadelta expressed in Xenopus laevis oocytes assessed as inhibition of acetylcholine-induced channel current respons...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322514((2S,3S)-2-(Naphthalen-2-yl)-3,5,5-trimethylmorphol...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H25NO2/c1-16-23(25,26-15-22(2,3)24-16)21-10-6-9-19(14-21)20-12-11-17-7-4-5-8-18(17)13-20/h4-14,16,24-25H,15H2,1-3H3/t16-,23+/m0/s1
Affinity DataIC50: 11nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322513((2S,3S)-2-(3-Chlorophenyl)-3-ethyl-5,5-dimethylmor...)
Show SMILES CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H20ClNO2/c1-4-12-14(17,18-9-13(2,3)16-12)10-6-5-7-11(15)8-10/h5-8,12,16-17H,4,9H2,1-3H3/t12-,14-/m0/s1
Affinity DataIC50: 14nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322528((2S,3S)-2-(3-Bromophenyl)-3,5,5-trimethylmorpholin...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1
Show InChI InChI=1S/C13H18BrNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
Affinity DataIC50: 18nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322523((2S,3S)-2-(4-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-4-6-11(14)7-5-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m0/s1
Affinity DataIC50: 19nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322517((2S,3S)-2-(3,5-Difluorophenyl)-3,5,5-trimethylmorp...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C13H17F2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-10(14)6-11(15)5-9/h4-6,8,16-17H,7H2,1-3H3/t8-,13+/m0/s1
Affinity DataIC50: 23nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322521((2S,3S)-2-(4-Methoxyphenyl)-3,5,5-trimethylmorphol...)
Show SMILES COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C
Show InChI InChI=1S/C14H21NO3/c1-10-14(16,18-9-13(2,3)15-10)11-5-7-12(17-4)8-6-11/h5-8,10,15-16H,9H2,1-4H3/t10-,14+/m0/s1
Affinity DataIC50: 25nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322531((2R,3R)-2-(3-Chlorophenyl)-3,5,5-trimethylmorpholi...)
Show SMILES C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1
Show InChI InChI=1S/C13H18ClNO2/c1-9-13(16,17-8-12(2,3)15-9)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3/t9-,13+/m1/s1
Affinity DataIC50: 28nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322527((2S,3S)-2-(m-Tolyl)-3,5,5-trimethylmorpholin-2-ol ...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1
Show InChI InChI=1S/C14H21NO2/c1-10-6-5-7-12(8-10)14(16)11(2)15-13(3,4)9-17-14/h5-8,11,15-16H,9H2,1-4H3/t11-,14+/m0/s1
Affinity DataIC50: 33nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
TargetAcetylcholine receptor subunit alpha/beta/delta/gamma(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50322519((2S,3S)-2-(3,4-Difluorophenyl)-3,5,5-trimethylmorp...)
Show SMILES C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C13H17F2NO2/c1-8-13(17,18-7-12(2,3)16-8)9-4-5-10(14)11(15)6-9/h4-6,8,16-17H,7H2,1-3H3/t8-,13+/m0/s1
Affinity DataIC50: 36nMAssay Description:Antagonist activity at alpha-1-beta-1-gamma-delta nicotinic receptor in human TE671 cells assessed as inhibition varbamylcholine-induced radiolabeled...More data for this Ligand-Target Pair
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