Compile Data Set for Download or QSAR
Found 108 Enz. Inhib. hit(s) with all data for entry = 50014927
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581203(CHEMBL5074599)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C36H37Cl2N3O7S/c1-45-29-10-8-24(16-31(29)46-2)30(17-26-27(37)19-41(44)20-28(26)38)47-35(42)33-11-9-25(49-33)18-39-34(23-6-4-3-5-7-23)36(43)48-32-21-40-14-12-22(32)13-15-40/h3-11,16,19-20,22,30,32,34,39H,12-15,17-18,21H2,1-2H3/t30-,32-,34?/m0/s1
Affinity DataKi:  0.0631nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581191(CHEMBL5070876)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C35H35Cl2N3O7S/c1-44-29-10-8-23(16-31(29)45-2)30(17-26-27(36)19-39(43)20-28(26)37)46-34(41)33-11-9-25(48-33)18-40(24-6-4-3-5-7-24)35(42)47-32-21-38-14-12-22(32)13-15-38/h3-11,16,19-20,22,30,32H,12-15,17-18,21H2,1-2H3/t30-,32-/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581204(CHEMBL5076637)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1
Show InChI InChI=1S/C36H36Cl2FN3O7S/c1-46-29-9-7-22(15-31(29)47-2)30(16-25-26(37)18-42(45)19-27(25)38)48-35(43)33-10-8-23(50-33)17-40-34(24-5-3-4-6-28(24)39)36(44)49-32-20-41-13-11-21(32)12-14-41/h3-10,15,18-19,21,30,32,34,40H,11-14,16-17,20H2,1-2H3/t30-,32-,34?/m0/s1
Affinity DataKi:  0.100nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581192(CHEMBL5091461)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1
Show InChI InChI=1S/C35H34Cl2FN3O7S/c1-45-29-9-7-22(15-31(29)46-2)30(16-24-25(36)18-40(44)19-26(24)37)47-34(42)33-10-8-23(49-33)17-41(28-6-4-3-5-27(28)38)35(43)48-32-20-39-13-11-21(32)12-14-39/h3-10,15,18-19,21,30,32H,11-14,16-17,20H2,1-2H3/t30-,32-/m0/s1
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581209(CHEMBL4650755)
Show SMILES C[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12+,13-,16+,17-
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581207(CHEMBL5074216)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(18-38)45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)19-39(42)20-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,19-20,23,29,32,37H,13-14,16-18H2,1-3H3/t23-,29+,32?/m1/s1
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581203(CHEMBL5074599)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C36H37Cl2N3O7S/c1-45-29-10-8-24(16-31(29)46-2)30(17-26-27(37)19-41(44)20-28(26)38)47-35(42)33-11-9-25(49-33)18-39-34(23-6-4-3-5-7-23)36(43)48-32-21-40-14-12-22(32)13-15-40/h3-11,16,19-20,22,30,32,34,39H,12-15,17-18,21H2,1-2H3/t30-,32-,34?/m0/s1
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581189(CHEMBL5075132)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1F
Show InChI InChI=1S/C37H36Cl2FN3O7/c1-47-32-11-9-25(17-34(32)48-2)33(18-28-29(38)20-42(46)21-30(28)39)49-36(44)27-10-8-23(16-31(27)40)19-43(26-6-4-3-5-7-26)37(45)50-35-22-41-14-12-24(35)13-15-41/h3-11,16-17,20-21,24,33,35H,12-15,18-19,22H2,1-2H3/t33-,35-/m0/s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581204(CHEMBL5076637)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1
Show InChI InChI=1S/C36H36Cl2FN3O7S/c1-46-29-9-7-22(15-31(29)47-2)30(16-25-26(37)18-42(45)19-27(25)38)48-35(43)33-10-8-23(50-33)17-40-34(24-5-3-4-6-28(24)39)36(44)49-32-20-41-13-11-21(32)12-14-41/h3-10,15,18-19,21,30,32,34,40H,11-14,16-17,20H2,1-2H3/t30-,32-,34?/m0/s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581185(CHEMBL5076558)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C38H39Cl2N3O7/c1-47-32-12-11-27(18-34(32)48-2)33(19-29-30(39)21-43(46)22-31(29)40)49-37(44)28-10-6-7-24(17-28)20-41-36(26-8-4-3-5-9-26)38(45)50-35-23-42-15-13-25(35)14-16-42/h3-12,17-18,21-22,25,33,35-36,41H,13-16,19-20,23H2,1-2H3/t33-,35-,36?/m0/s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581209(CHEMBL4650755)
Show SMILES C[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(c1cccs1)c1cccs1
Show InChI InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12+,13-,16+,17-
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581187(CHEMBL5077161)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C37H37Cl2N3O7/c1-46-32-13-12-27(18-34(32)47-2)33(19-29-30(38)21-41(45)22-31(29)39)48-36(43)26-10-8-24(9-11-26)20-42(28-6-4-3-5-7-28)37(44)49-35-23-40-16-14-25(35)15-17-40/h3-13,18,21-22,25,33,35H,14-17,19-20,23H2,1-2H3/t33-,35-/m0/s1
Affinity DataKi:  0.158nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581193(CHEMBL5084383)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(F)c2)s1
Show InChI InChI=1S/C35H34Cl2FN3O7S/c1-45-29-8-6-22(14-31(29)46-2)30(16-26-27(36)18-40(44)19-28(26)37)47-34(42)33-9-7-25(49-33)17-41(24-5-3-4-23(38)15-24)35(43)48-32-20-39-12-10-21(32)11-13-39/h3-9,14-15,18-19,21,30,32H,10-13,16-17,20H2,1-2H3/t30-,32-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581190(CHEMBL5076266)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(F)c(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C37H36Cl2FN3O7/c1-47-32-11-9-24(17-34(32)48-2)33(18-28-29(38)20-42(46)21-30(28)39)49-36(44)25-8-10-31(40)26(16-25)19-43(27-6-4-3-5-7-27)37(45)50-35-22-41-14-12-23(35)13-15-41/h3-11,16-17,20-21,23,33,35H,12-15,18-19,22H2,1-2H3/t33-,35-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581202(CHEMBL5090464)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3F)s2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C38H36Cl2F3N3O7S/c39-27-18-45(49)19-28(40)26(27)16-32(24-7-9-31(52-37(42)43)33(15-24)50-21-22-5-6-22)51-36(47)35-10-8-25(54-35)17-46(30-4-2-1-3-29(30)41)38(48)53-34-20-44-13-11-23(34)12-14-44/h1-4,7-10,15,18-19,22-23,32,34,37H,5-6,11-14,16-17,20-21H2/t32-,34-/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581203(CHEMBL5074599)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C36H37Cl2N3O7S/c1-45-29-10-8-24(16-31(29)46-2)30(17-26-27(37)19-41(44)20-28(26)38)47-35(42)33-11-9-25(49-33)18-39-34(23-6-4-3-5-7-23)36(43)48-32-21-40-14-12-22(32)13-15-40/h3-11,16,19-20,22,30,32,34,39H,12-15,17-18,21H2,1-2H3/t30-,32-,34?/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325637(US9636336, Example 28 | US9636336, Example 94 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(38)20-45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)18-39(42)19-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,18-19,23,29,32,37H,13-14,16-17,20H2,1-3H3/t23-,29+,32?/m1/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581185(CHEMBL5076558)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C38H39Cl2N3O7/c1-47-32-12-11-27(18-34(32)48-2)33(19-29-30(39)21-43(46)22-31(29)40)49-37(44)28-10-6-7-24(17-28)20-41-36(26-8-4-3-5-9-26)38(45)50-35-23-42-15-13-25(35)14-16-42/h3-12,17-18,21-22,25,33,35-36,41H,13-16,19-20,23H2,1-2H3/t33-,35-,36?/m0/s1
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325606(US9636336, Example 87c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-15-13-24(14-16-39)46-35(42)33(22-7-5-4-6-8-22)38-19-25-10-12-32(48-25)34(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-9-11-29(44-2)31(17-23)45-3/h4-12,17,20-21,24,30,33,38H,13-16,18-19H2,1-3H3/t30-,33?/m0/s1
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581199(CHEMBL5090179)
Show SMILES COc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1
Show InChI InChI=1S/C35H32Cl2F3N3O7S/c1-47-30-14-21(6-8-28(30)49-34(39)40)29(15-23-24(36)17-42(46)18-25(23)37)48-33(44)32-9-7-22(51-32)16-43(27-5-3-2-4-26(27)38)35(45)50-31-19-41-12-10-20(31)11-13-41/h2-9,14,17-18,20,29,31,34H,10-13,15-16,19H2,1H3/t29-,31-/m0/s1
Affinity DataKi:  0.251nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581188(CHEMBL5076680)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)Cc1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C38H39Cl2N3O7/c1-47-33-13-12-28(19-35(33)48-2)34(20-30-31(39)22-42(46)23-32(30)40)49-37(44)18-25-8-10-26(11-9-25)21-43(29-6-4-3-5-7-29)38(45)50-36-24-41-16-14-27(36)15-17-41/h3-13,19,22-23,27,34,36H,14-18,20-21,24H2,1-2H3/t34-,36-/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581186(CHEMBL5088742)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C37H37Cl2N3O7/c1-46-32-12-11-26(18-34(32)47-2)33(19-29-30(38)21-41(45)22-31(29)39)48-36(43)27-8-6-7-24(17-27)20-42(28-9-4-3-5-10-28)37(44)49-35-23-40-15-13-25(35)14-16-40/h3-12,17-18,21-22,25,33,35H,13-16,19-20,23H2,1-2H3/t33-,35-/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581200(CHEMBL5084829)
Show SMILES CCOc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1
Show InChI InChI=1S/C36H34Cl2F3N3O7S/c1-2-48-31-15-22(7-9-29(31)50-35(40)41)30(16-24-25(37)18-43(47)19-26(24)38)49-34(45)33-10-8-23(52-33)17-44(28-6-4-3-5-27(28)39)36(46)51-32-20-42-13-11-21(32)12-14-42/h3-10,15,18-19,21,30,32,35H,2,11-14,16-17,20H2,1H3/t30-,32-/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581201(CHEMBL5085717)
Show SMILES CC(C)Oc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2F)s1
Show InChI InChI=1S/C37H36Cl2F3N3O7S/c1-21(2)49-32-15-23(7-9-30(32)51-36(41)42)31(16-25-26(38)18-44(48)19-27(25)39)50-35(46)34-10-8-24(53-34)17-45(29-6-4-3-5-28(29)40)37(47)52-33-20-43-13-11-22(33)12-14-43/h3-10,15,18-19,21-22,31,33,36H,11-14,16-17,20H2,1-2H3/t31-,33-/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581198(CHEMBL5086769)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(O)c2)s1
Show InChI InChI=1S/C35H35Cl2N3O8S/c1-45-29-8-6-22(14-31(29)46-2)30(16-26-27(36)18-39(44)19-28(26)37)47-34(42)33-9-7-25(49-33)17-40(23-4-3-5-24(41)15-23)35(43)48-32-20-38-12-10-21(32)11-13-38/h3-9,14-15,18-19,21,30,32,41H,10-13,16-17,20H2,1-2H3/t30-,32-/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325605(US9636336, Example 23 | US9636336, Example 86 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-13-23(14-16-40)22-47-36(43)34(24-7-5-4-6-8-24)39-19-26-10-12-33(49-26)35(42)48-31(18-27-28(37)20-41(44)21-29(27)38)25-9-11-30(45-2)32(17-25)46-3/h4-12,17,20-21,23,31,34,39H,13-16,18-19,22H2,1-3H3/t31-,34?/m0/s1
Affinity DataKi:  0.316nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581185(CHEMBL5076558)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CNC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C38H39Cl2N3O7/c1-47-32-12-11-27(18-34(32)48-2)33(19-29-30(39)21-43(46)22-31(29)40)49-37(44)28-10-6-7-24(17-28)20-41-36(26-8-4-3-5-9-26)38(45)50-35-23-42-15-13-25(35)14-16-42/h3-12,17-18,21-22,25,33,35-36,41H,13-16,19-20,23H2,1-2H3/t33-,35-,36?/m0/s1
Affinity DataKi:  0.398nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581208(CHEMBL5076535)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C33H35Cl2N3O7S/c1-37(2)14-15-44-33(40)31(21-8-6-5-7-9-21)36-18-23-11-13-30(46-23)32(39)45-28(17-24-25(34)19-38(41)20-26(24)35)22-10-12-27(42-3)29(16-22)43-4/h5-13,16,19-20,28,31,36H,14-15,17-18H2,1-4H3/t28-,31?/m0/s1
Affinity DataKi:  0.398nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581183(CHEMBL5087564)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C37H37Cl2N3O7/c1-46-31-12-11-25(18-33(31)47-2)32(19-28-29(38)20-42(45)21-30(28)39)48-36(43)26-9-6-10-27(17-26)40-35(24-7-4-3-5-8-24)37(44)49-34-22-41-15-13-23(34)14-16-41/h3-12,17-18,20-21,23,32,34-35,40H,13-16,19,22H2,1-2H3/t32-,34-,35?/m0/s1
Affinity DataKi:  0.398nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325621(US9636336, Example 11 | US9636336, Example 65 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-28-29(38)20-42(45)21-30(28)39)49-36(43)34-11-9-27(50-34)18-40-35(24-6-4-3-5-7-24)37(44)48-22-26-19-41-14-12-23(26)13-15-41/h3-11,16,20-21,23,26,32,35,40H,12-15,17-19,22H2,1-2H3/t26-,32+,35?/m1/s1
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581195(CHEMBL5085166)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2ccccn2)s1
Show InChI InChI=1S/C34H34Cl2N4O7S/c1-44-27-8-6-22(15-29(27)45-2)28(16-24-25(35)18-39(43)19-26(24)36)46-33(41)31-9-7-23(48-31)17-40(32-5-3-4-12-37-32)34(42)47-30-20-38-13-10-21(30)11-14-38/h3-9,12,15,18-19,21,28,30H,10-11,13-14,16-17,20H2,1-2H3/t28-,30-/m0/s1
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581206(CHEMBL5076886)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-41-24-10-11-25(41)17-26(16-24)48-37(44)35(22-7-5-4-6-8-22)40-19-27-12-14-34(50-27)36(43)49-32(18-28-29(38)20-42(45)21-30(28)39)23-9-13-31(46-2)33(15-23)47-3/h4-9,12-15,20-21,24-26,32,35,40H,10-11,16-19H2,1-3H3/t24-,25-,32+,35?/m1/s1
Affinity DataKi:  0.501nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581205(CHEMBL5077424)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)C(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-40(35(24-7-5-4-6-8-24)37(44)49-33-22-41-15-13-23(33)14-16-41)19-26-10-12-34(50-26)36(43)48-31(18-27-28(38)20-42(45)21-29(27)39)25-9-11-30(46-2)32(17-25)47-3/h4-12,17,20-21,23,31,33,35H,13-16,18-19,22H2,1-3H3/t31-,33-,35?/m0/s1
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581181(CHEMBL5086895)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C41H41Cl2F2N3O7/c42-32-21-48(51)22-33(43)31(32)19-35(29-11-12-34(55-41(44)45)36(18-29)52-24-25-9-10-25)53-39(49)30-8-4-5-26(17-30)20-46-38(28-6-2-1-3-7-28)40(50)54-37-23-47-15-13-27(37)14-16-47/h1-8,11-12,17-18,21-22,25,27,35,37-38,41,46H,9-10,13-16,19-20,23-24H2/t35-,37-,38?/m0/s1
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581205(CHEMBL5077424)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)C(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-40(35(24-7-5-4-6-8-24)37(44)49-33-22-41-15-13-23(33)14-16-41)19-26-10-12-34(50-26)36(43)48-31(18-27-28(38)20-42(45)21-29(27)39)25-9-11-30(46-2)32(17-25)47-3/h4-12,17,20-21,23,31,33,35H,13-16,18-19,22H2,1-3H3/t31-,33-,35?/m0/s1
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581184(CHEMBL5094110)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(c1)S(=O)(=O)NC(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1
Show InChI InChI=1S/C37H37Cl2N3O9S/c1-48-31-12-11-25(18-33(31)49-2)32(19-28-29(38)20-42(45)21-30(28)39)50-36(43)26-9-6-10-27(17-26)52(46,47)40-35(24-7-4-3-5-8-24)37(44)51-34-22-41-15-13-23(34)14-16-41/h3-12,17-18,20-21,23,32,34-35,40H,13-16,19,22H2,1-2H3/t32-,34-,35?/m0/s1
Affinity DataKi:  0.631nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581179(CHEMBL5078680)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(NC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C40H39Cl2F2N3O7/c41-31-20-47(50)21-32(42)30(31)19-34(27-11-12-33(54-40(43)44)35(18-27)51-23-24-9-10-24)52-38(48)28-7-4-8-29(17-28)45-37(26-5-2-1-3-6-26)39(49)53-36-22-46-15-13-25(36)14-16-46/h1-8,11-12,17-18,20-21,24-25,34,36-37,40,45H,9-10,13-16,19,22-23H2/t34-,36-,37?/m0/s1
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581196(CHEMBL5086272)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2nccs2)s1
Show InChI InChI=1S/C32H32Cl2N4O7S2/c1-42-25-5-3-20(13-27(25)43-2)26(14-22-23(33)16-37(41)17-24(22)34)44-30(39)29-6-4-21(47-29)15-38(31-35-9-12-46-31)32(40)45-28-18-36-10-7-19(28)8-11-36/h3-6,9,12-13,16-17,19,26,28H,7-8,10-11,14-15,18H2,1-2H3/t26-,28-/m0/s1
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581210(IPRATROPIUM | Ipratropium | Ipratropium cation | I...)
Show SMILES CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581210(IPRATROPIUM | Ipratropium | Ipratropium cation | I...)
Show SMILES CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1
Show InChI InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?
Affinity DataKi:  0.794nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M2 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581182(CHEMBL5080391)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(CN(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)c2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C40H39Cl2F2N3O7/c41-32-21-46(50)22-33(42)31(32)19-35(28-11-12-34(53-39(43)44)36(18-28)51-24-25-9-10-25)52-38(48)29-6-4-5-26(17-29)20-47(30-7-2-1-3-8-30)40(49)54-37-23-45-15-13-27(37)14-16-45/h1-8,11-12,17-18,21-22,25,27,35,37,39H,9-10,13-16,19-20,23-24H2/t35-,37-/m0/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581180(CHEMBL5081214)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2cccc(c2)S(=O)(=O)NC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C40H39Cl2F2N3O9S/c41-31-20-47(50)21-32(42)30(31)19-34(27-11-12-33(56-40(43)44)35(18-27)53-23-24-9-10-24)54-38(48)28-7-4-8-29(17-28)57(51,52)45-37(26-5-2-1-3-6-26)39(49)55-36-22-46-15-13-25(36)14-16-46/h1-8,11-12,17-18,20-21,24-25,34,36-37,40,45H,9-10,13-16,19,22-23H2/t34-,36-,37?/m0/s1
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325637(US9636336, Example 28 | US9636336, Example 94 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(38)20-45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)18-39(42)19-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,18-19,23,29,32,37H,13-14,16-17,20H2,1-3H3/t23-,29+,32?/m1/s1
Affinity DataKi:  2.5nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581197(CHEMBL5077250)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(c2)C(F)F)s1
Show InChI InChI=1S/C36H35Cl2F2N3O7S/c1-47-29-8-6-22(15-31(29)48-2)30(16-26-27(37)18-42(46)19-28(26)38)49-35(44)33-9-7-25(51-33)17-43(24-5-3-4-23(14-24)34(39)40)36(45)50-32-20-41-12-10-21(32)11-13-41/h3-9,14-15,18-19,21,30,32,34H,10-13,16-17,20H2,1-2H3/t30-,32-/m0/s1
Affinity DataKi:  3.20nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325621(US9636336, Example 11 | US9636336, Example 65 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-28-29(38)20-42(45)21-30(28)39)49-36(43)34-11-9-27(50-34)18-40-35(24-6-4-3-5-7-24)37(44)48-22-26-19-41-14-12-23(26)13-15-41/h3-11,16,20-21,23,26,32,35,40H,12-15,17-19,22H2,1-2H3/t26-,32+,35?/m1/s1
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581194(CHEMBL5069430)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccnc2)s1
Show InChI InChI=1S/C34H34Cl2N4O7S/c1-44-28-7-5-22(14-30(28)45-2)29(15-25-26(35)18-39(43)19-27(25)36)46-33(41)32-8-6-24(48-32)17-40(23-4-3-11-37-16-23)34(42)47-31-20-38-12-9-21(31)10-13-38/h3-8,11,14,16,18-19,21,29,31H,9-10,12-13,15,17,20H2,1-2H3/t29-,31-/m0/s1
Affinity DataKi:  7.90nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581207(CHEMBL5074216)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(18-38)45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)19-39(42)20-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,19-20,23,29,32,37H,13-14,16-18H2,1-3H3/t23-,29+,32?/m1/s1
Affinity DataKi:  7.90nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325605(US9636336, Example 23 | US9636336, Example 86 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-13-23(14-16-40)22-47-36(43)34(24-7-5-4-6-8-24)39-19-26-10-12-33(49-26)35(42)48-31(18-27-28(37)20-41(44)21-29(27)38)25-9-11-30(45-2)32(17-25)46-3/h4-12,17,20-21,23,31,34,39H,13-16,18-19,22H2,1-3H3/t31-,34?/m0/s1
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM50581206(CHEMBL5076886)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-41-24-10-11-25(41)17-26(16-24)48-37(44)35(22-7-5-4-6-8-22)40-19-27-12-14-34(50-27)36(43)49-32(18-28-29(38)20-42(45)21-30(28)39)23-9-13-31(46-2)33(15-23)47-3/h4-9,12-15,20-21,24-26,32,35,40H,10-11,16-19H2,1-3H3/t24-,25-,32+,35?/m1/s1
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMuscarinic acetylcholine receptor M3(Homo sapiens (Human))
Chiesi Farmaceutici S.p.A.

Curated by ChEMBL
LigandPNGBDBM325606(US9636336, Example 87c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-15-13-24(14-16-39)46-35(42)33(22-7-5-4-6-8-22)38-19-25-10-12-32(48-25)34(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-9-11-29(44-2)31(17-23)45-3/h4-12,17,20-21,24,30,33,38H,13-16,18-19H2,1-3H3/t30-,33?/m0/s1
Affinity DataKi:  10nMAssay Description:Displacement of [3H]-N-methyl Scopolamine Chloride from human M3 receptor membranes incubated for 2 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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