Compile Data Set for Download or QSAR
Found 78 Enz. Inhib. hit(s) with all data for entry = 50037644
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176723((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-10-6-15(18)7-11-20)8-9-19(21,16-4-2-12-23-16)17-5-3-13-24-17/h2-5,12-13,15,21H,6-7,10-11,14H2,1H3/t18-/m1/s1
Affinity DataKi:  0.0500nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176735((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccsc1)c1ccsc1
Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-8-2-15(18)3-9-20)6-7-19(21,16-4-10-23-12-16)17-5-11-24-13-17/h4-5,10-13,15,21H,2-3,8-9,14H2,1H3/t18-/m1/s1
Affinity DataKi:  0.0800nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176732((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-diphenylprop...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,25H,12-13,16-18H2,1H3/t22-/m1/s1
Affinity DataKi:  0.130nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176723((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-10-6-15(18)7-11-20)8-9-19(21,16-4-2-12-23-16)17-5-3-13-24-17/h2-5,12-13,15,21H,6-7,10-11,14H2,1H3/t18-/m1/s1
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176718(1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-p...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23?/m1/s1
Affinity DataKi:  0.200nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176712(1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-phen...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-25-21(17-23-15-11-18(21)12-16-23)13-14-22(24,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,18,20,24H,5-6,9-12,15-17H2,1H3
Affinity DataKi:  0.25nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176708((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22-/m1/s1
Affinity DataKi:  0.25nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176706(1-(6-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1
Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-13-9-17(21)10-14-25)11-12-22(26,18-5-3-2-4-6-18)19-7-8-20(23)24-15-19/h2-8,15,17,26H,9-10,13-14,16H2,1H3
Affinity DataKi:  0.320nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176729(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3
Affinity DataKi:  0.400nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176735((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-di(thiophen-...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccsc1)c1ccsc1
Show InChI InChI=1S/C19H21NO2S2/c1-22-18(14-20-8-2-15(18)3-9-20)6-7-19(21,16-4-10-23-12-16)17-5-11-24-13-17/h4-5,10-13,15,21H,2-3,8-9,14H2,1H3/t18-/m1/s1
Affinity DataKi:  0.400nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176717(1-(3-methoxyquinuclidin-3-yl)-3-phenylhept-1-yn-3-...)
Show SMILES CCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1
Show InChI InChI=1S/C21H29NO2/c1-3-4-12-20(23,18-8-6-5-7-9-18)13-14-21(24-2)17-22-15-10-19(21)11-16-22/h5-9,19,23H,3-4,10-12,15-17H2,1-2H3
Affinity DataKi:  0.630nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176726(1-(2-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1F
Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-14-9-17(21)10-15-25)11-12-22(26,18-6-3-2-4-7-18)19-8-5-13-24-20(19)23/h2-8,13,17,26H,9-10,14-16H2,1H3
Affinity DataKi:  0.790nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176708((R)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22-/m1/s1
Affinity DataKi:  0.790nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176732((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-diphenylprop...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H25NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,25H,12-13,16-18H2,1H3/t22-/m1/s1
Affinity DataKi:  0.790nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176711((R)-1,1-bis(3-fluorophenyl)-3-(3-methoxyquinuclidi...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-12-8-17(22)9-13-26)10-11-23(27,18-4-2-6-20(24)14-18)19-5-3-7-21(25)15-19/h2-7,14-15,17,27H,8-9,12-13,16H2,1H3/t22-/m1/s1
Affinity DataKi:  0.790nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176704(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyrimidi...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cncnc1
Show InChI InChI=1S/C21H23N3O2/c1-26-20(15-24-11-7-17(20)8-12-24)9-10-21(25,18-5-3-2-4-6-18)19-13-22-16-23-14-19/h2-6,13-14,16-17,25H,7-8,11-12,15H2,1H3
Affinity DataKi:  1nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176722((R)-1,1-bis(4-fluorophenyl)-3-(3-methoxyquinuclidi...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1
Affinity DataKi:  1nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176714(1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-pheny...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-24-20(16-22-14-10-17(20)11-15-22)12-13-21(23,19-8-5-9-19)18-6-3-2-4-7-18/h2-4,6-7,17,19,23H,5,8-11,14-16H2,1H3
Affinity DataKi:  1nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176716(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-9-18(21)10-16-24)11-12-22(25,19-5-3-2-4-6-19)20-7-13-23-14-8-20/h2-8,13-14,18,25H,9-10,15-17H2,1H3
Affinity DataKi:  1.30nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50165019(4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...)
Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
Affinity DataKi:  1.30nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176729(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3
Affinity DataKi:  1.30nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50109647(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
Affinity DataKi:  1.30nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176718(1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-p...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23?/m1/s1
Affinity DataKi:  2nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176704(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyrimidi...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cncnc1
Show InChI InChI=1S/C21H23N3O2/c1-26-20(15-24-11-7-17(20)8-12-24)9-10-21(25,18-5-3-2-4-6-18)19-13-22-16-23-14-19/h2-6,13-14,16-17,25H,7-8,11-12,15H2,1H3
Affinity DataKi:  2nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176733(1-(3-methoxyquinuclidin-3-yl)-3-phenyloct-1-yn-3-o...)
Show SMILES CCCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1
Show InChI InChI=1S/C22H31NO2/c1-3-4-8-13-21(24,19-9-6-5-7-10-19)14-15-22(25-2)18-23-16-11-20(22)12-17-23/h5-7,9-10,20,24H,3-4,8,11-13,16-18H2,1-2H3
Affinity DataKi:  2.5nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50165008((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
Affinity DataKi:  3.20nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176712(1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-phen...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-25-21(17-23-15-11-18(21)12-16-23)13-14-22(24,20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,18,20,24H,5-6,9-12,15-17H2,1H3
Affinity DataKi:  3.20nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176726(1-(2-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnc1F
Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-14-9-17(21)10-15-25)11-12-22(26,18-6-3-2-4-7-18)19-8-5-13-24-20(19)23/h2-8,13,17,26H,9-10,14-16H2,1H3
Affinity DataKi:  3.20nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176710((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1
Affinity DataKi:  3.20nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176725(1-cyclopentyl-3-(3-methoxyquinuclidin-3-yl)-1-(pyr...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCCC1)c1ccccn1
Show InChI InChI=1S/C21H28N2O2/c1-25-20(16-23-14-9-17(20)10-15-23)11-12-21(24,18-6-2-3-7-18)19-8-4-5-13-22-19/h4-5,8,13,17-18,24H,2-3,6-7,9-10,14-16H2,1H3
Affinity DataKi:  4nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50165008((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
Affinity DataKi:  4nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176706(1-(6-fluoropyridin-3-yl)-3-(3-methoxyquinuclidin-3...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccc(F)nc1
Show InChI InChI=1S/C22H23FN2O2/c1-27-21(16-25-13-9-17(21)10-14-25)11-12-22(26,18-5-3-2-4-6-18)19-7-8-20(23)24-15-19/h2-8,15,17,26H,9-10,13-14,16H2,1H3
Affinity DataKi:  4nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176711((R)-1,1-bis(3-fluorophenyl)-3-(3-methoxyquinuclidi...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(F)c1)c1cccc(F)c1
Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-12-8-17(22)9-13-26)10-11-23(27,18-4-2-6-20(24)14-18)19-5-3-7-21(25)15-19/h2-7,14-15,17,27H,8-9,12-13,16H2,1H3/t22-/m1/s1
Affinity DataKi:  5nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176716(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccncc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-9-18(21)10-16-24)11-12-22(25,19-5-3-2-4-6-19)20-7-13-23-14-8-20/h2-8,13-14,18,25H,9-10,15-17H2,1H3
Affinity DataKi:  5nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176727(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridazi...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnn1
Show InChI InChI=1S/C21H23N3O2/c1-26-20(16-24-14-9-17(20)10-15-24)11-12-21(25,18-6-3-2-4-7-18)19-8-5-13-22-23-19/h2-8,13,17,25H,9-10,14-16H2,1H3
Affinity DataKi:  7.90nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176709((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-dim-tolylpro...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(C)c1)c1cccc(C)c1
Show InChI InChI=1S/C25H29NO2/c1-19-6-4-8-22(16-19)25(27,23-9-5-7-20(2)17-23)13-12-24(28-3)18-26-14-10-21(24)11-15-26/h4-9,16-17,21,27H,10-11,14-15,18H2,1-3H3/t24-/m1/s1
Affinity DataKi:  7.90nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176705((R)-1,1-bis(4-chlorophenyl)-3-(3-methoxyquinuclidi...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23Cl2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1
Affinity DataKi:  7.90nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176715(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridin-...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1ccccn1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-15-10-18(21)11-16-24)12-13-22(25,19-7-3-2-4-8-19)20-9-5-6-14-23-20/h2-9,14,18,25H,10-11,15-17H2,1H3
Affinity DataKi:  10nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176714(1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-pheny...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccc1
Show InChI InChI=1S/C21H27NO2/c1-24-20(16-22-14-10-17(20)11-15-22)12-13-21(23,19-8-5-9-19)18-6-3-2-4-7-18/h2-4,6-7,17,19,23H,5,8-11,14-16H2,1H3
Affinity DataKi:  13nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176720((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22+/m1/s1
Affinity DataKi:  13nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50165019(4-(Diethylamino)-2-butynyl alpha-phenylcyclohexane...)
Show SMILES CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3
Affinity DataKi:  16nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176710((S)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23-/m1/s1
Affinity DataKi:  20nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176707(1-cyclobutyl-3-(3-methoxyquinuclidin-3-yl)-1-(pyri...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(C1CCC1)c1ccccn1
Show InChI InChI=1S/C20H26N2O2/c1-24-19(15-22-13-8-16(19)9-14-22)10-11-20(23,17-5-4-6-17)18-7-2-3-12-21-18/h2-3,7,12,16-17,23H,4-6,8-9,13-15H2,1H3
Affinity DataKi:  20nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176722((R)-1,1-bis(4-fluorophenyl)-3-(3-methoxyquinuclidi...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H23F2NO2/c1-28-22(16-26-14-10-17(22)11-15-26)12-13-23(27,18-2-6-20(24)7-3-18)19-4-8-21(25)9-5-19/h2-9,17,27H,10-11,14-16H2,1H3/t22-/m1/s1
Affinity DataKi:  20nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176717(1-(3-methoxyquinuclidin-3-yl)-3-phenylhept-1-yn-3-...)
Show SMILES CCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1
Show InChI InChI=1S/C21H29NO2/c1-3-4-12-20(23,18-8-6-5-7-9-18)13-14-21(24-2)17-22-15-10-19(21)11-16-22/h5-9,19,23H,3-4,10-12,15-17H2,1-2H3
Affinity DataKi:  25nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176727(3-(3-methoxyquinuclidin-3-yl)-1-phenyl-1-(pyridazi...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(c1ccccc1)c1cccnn1
Show InChI InChI=1S/C21H23N3O2/c1-26-20(16-24-14-9-17(20)10-15-24)11-12-21(25,18-6-3-2-4-7-18)19-8-5-13-22-23-19/h2-8,13,17,25H,9-10,14-16H2,1H3
Affinity DataKi:  40nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176733(1-(3-methoxyquinuclidin-3-yl)-3-phenyloct-1-yn-3-o...)
Show SMILES CCCCCC(O)(C#CC1(CN2CCC1CC2)OC)c1ccccc1
Show InChI InChI=1S/C22H31NO2/c1-3-4-8-13-21(24,19-9-6-5-7-10-19)14-15-22(25-2)18-23-16-11-20(22)12-17-23/h5-7,9-10,20,24H,3-4,8,11-13,16-18H2,1-2H3
Affinity DataKi:  40nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176719(4-(3-methoxyquinuclidin-3-yl)-1,2-diphenylbut-3-yn...)
Show SMILES COC1(CN2CCC1CC2)C#CC(O)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27NO2/c1-27-24(19-25-16-12-22(24)13-17-25)15-14-23(26,21-10-6-3-7-11-21)18-20-8-4-2-5-9-20/h2-11,22,26H,12-13,16-19H2,1H3
Affinity DataKi:  40nMAssay Description:Binding affinity to human muscarinic M3 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176709((R)-3-(3-methoxyquinuclidin-3-yl)-1,1-dim-tolylpro...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#CC(O)(c1cccc(C)c1)c1cccc(C)c1
Show InChI InChI=1S/C25H29NO2/c1-19-6-4-8-22(16-19)25(27,23-9-5-7-20(2)17-23)13-12-24(28-3)18-26-14-10-21(24)11-15-26/h4-9,16-17,21,27H,10-11,14-15,18H2,1-3H3/t24-/m1/s1
Affinity DataKi:  50nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
UCB Pharma SA

Curated by ChEMBL
LigandPNGBDBM50176720((S)-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenyl-1-(...)
Show SMILES CO[C@@]1(CN2CCC1CC2)C#C[C@](O)(c1ccccc1)c1cccnc1
Show InChI InChI=1S/C22H24N2O2/c1-26-21(17-24-14-9-18(21)10-15-24)11-12-22(25,19-6-3-2-4-7-19)20-8-5-13-23-16-20/h2-8,13,16,18,25H,9-10,14-15,17H2,1H3/t21-,22+/m1/s1
Affinity DataKi:  50nMAssay Description:Binding affinity to human muscarinic M2 receptorMore data for this Ligand-Target Pair
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