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Compile Data Set for Download or QSAR

Found 216 hits with Last Name = 'peretto' and Initial = 'i'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208047
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c1-31(19-17-23-11-5-2-6-12-23)20-18-26(21-31)30-22-28(29-27(30)32,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26H,17-22H2,1H3/p+1
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0.670n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208057
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O/c1-32(20-11-14-24-12-5-2-6-13-24)21-19-27(22-32)31-23-29(30-28(31)33,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,12-13,15-18,27H,11,14,19-23H2,1H3/p+1
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0.700n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208057
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O/c1-32(20-11-14-24-12-5-2-6-13-24)21-19-27(22-32)31-23-29(30-28(31)33,25-15-7-3-8-16-25)26-17-9-4-10-18-26/h2-10,12-13,15-18,27H,11,14,19-23H2,1H3/p+1
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0.730n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207996
PNG
(3-(1-benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CCCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-27-29-28(24-13-6-2-7-14-24,25-15-8-3-9-16-25)22-31(27)26-17-10-19-30(20-18-26)21-23-11-4-1-5-12-23/h1-9,11-16,26H,10,17-22H2,(H,29,32)
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0.960n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208044
PNG
(1-methyl-3-(R)-(2-oxo-4,4-diphenyl-imidazolidin-1-...)
Show SMILES C[N+]1(CCOc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-31(19-20-33-26-15-9-4-10-16-26)18-17-25(21-31)30-22-28(29-27(30)32,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,25H,17-22H2,1H3/p+1/t25-,31?/m1/s1
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1.04n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208035
PNG
(1-methyl-3-(R)-3-[4,4-bis-(4-fluoro-phenyl)-2-oxo-...)
Show SMILES C[N+]1(CC(=O)c2ccsc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H25F2N3O2S/c1-31(15-24(32)18-11-13-34-16-18)12-10-23(14-31)30-17-26(29-25(30)33,19-2-6-21(27)7-3-19)20-4-8-22(28)9-5-20/h2-9,11,13,16,23H,10,12,14-15,17H2,1H3/p+1/t23-,31?/m1/s1
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1.62n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208038
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-31(19-20-33-26-15-9-4-10-16-26)18-17-25(21-31)30-22-28(29-27(30)32,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,25H,17-22H2,1H3/p+1
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1.66n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208018
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C24H27N3OS2/c1-18-5-2-6-19(15-18)16-26-11-9-20(10-12-26)27-17-24(25-23(27)28,21-7-3-13-29-21)22-8-4-14-30-22/h2-8,13-15,20H,9-12,16-17H2,1H3,(H,25,28)
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1.72n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208056
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c1-32(19-11-21-34-27-16-9-4-10-17-27)20-18-26(22-32)31-23-29(30-28(31)33,24-12-5-2-6-13-24)25-14-7-3-8-15-25/h2-10,12-17,26H,11,18-23H2,1H3/p+1
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1.76n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208051
PNG
(1-methyl-3-(R)-3-[4,4-bis-(4-fluoro-phenyl)-2-oxo-...)
Show SMILES C[N+]1(CC(=O)c2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H27F2N3O2/c1-33(18-26(34)20-5-3-2-4-6-20)16-15-25(17-33)32-19-28(31-27(32)35,21-7-11-23(29)12-8-21)22-9-13-24(30)14-10-22/h2-14,25H,15-19H2,1H3/p+1/t25-,33?/m1/s1
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1.84n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208038
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-31(19-20-33-26-15-9-4-10-16-26)18-17-25(21-31)30-22-28(29-27(30)32,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,25H,17-22H2,1H3/p+1
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1.89n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208058
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CC(=O)c2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H29N3O2/c1-31(20-26(32)22-11-5-2-6-12-22)18-17-25(19-31)30-21-28(29-27(30)33,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25H,17-21H2,1H3/p+1
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1.89n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208015
PNG
(3-(1-benzylpiperidin-4-yl)-5,5-diphenyl-imidazolid...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2,(H,28,31)
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1.90n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50207996
PNG
(3-(1-benzyl-azepin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CCCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-27-29-28(24-13-6-2-7-14-24,25-15-8-3-9-16-25)22-31(27)26-17-10-19-30(20-18-26)21-23-11-4-1-5-12-23/h1-9,11-16,26H,10,17-22H2,(H,29,32)
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2n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208003
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H31N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-14,19,26H,15-18,20-21H2,1H3,(H,29,32)
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2.37n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208044
PNG
(1-methyl-3-(R)-(2-oxo-4,4-diphenyl-imidazolidin-1-...)
Show SMILES C[N+]1(CCOc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-31(19-20-33-26-15-9-4-10-16-26)18-17-25(21-31)30-22-28(29-27(30)32,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,25H,17-22H2,1H3/p+1/t25-,31?/m1/s1
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2.39n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208002
PNG
(3-(1-benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C27H35N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2,(H,28,31)
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2.57n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208041
PNG
(1-methyl-3-(R)-3-[4,4-bis-(4-fluoro-phenyl)-2-oxo-...)
Show SMILES C[N+]1(CC(=O)c2ccccn2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26F2N4O2/c1-33(17-25(34)24-4-2-3-14-30-24)15-13-23(16-33)32-18-27(31-26(32)35,19-5-9-21(28)10-6-19)20-7-11-22(29)12-8-20/h2-12,14,23H,13,15-18H2,1H3/p+1/t23-,33?/m1/s1
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2.61n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208024
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-di-(2-thienyl)-imi...)
Show SMILES O=C1NC(CN1C1CCN(Cc2ccccc2)CC1)(c1cccs1)c1cccs1
Show InChI InChI=1S/C23H25N3OS2/c27-22-24-23(20-8-4-14-28-20,21-9-5-15-29-21)17-26(22)19-10-12-25(13-11-19)16-18-6-2-1-3-7-18/h1-9,14-15,19H,10-13,16-17H2,(H,24,27)
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2.70n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207990
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(2-th...)
Show SMILES Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2cccs2)c2cccs2)c1
Show InChI InChI=1S/C23H24FN3OS2/c24-18-5-1-4-17(14-18)15-26-10-8-19(9-11-26)27-16-23(25-22(27)28,20-6-2-12-29-20)21-7-3-13-30-21/h1-7,12-14,19H,8-11,15-16H2,(H,25,28)
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2.75n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208001
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-di-(4-fluorophenyl...)
Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3ccccc3)CC2)C(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C27H27F2N3O/c28-23-10-6-21(7-11-23)27(22-8-12-24(29)13-9-22)19-32(26(33)30-27)25-14-16-31(17-15-25)18-20-4-2-1-3-5-20/h1-13,25H,14-19H2,(H,30,33)
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2.80n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208029
PNG
(1-methyl-3-(R)-3-[4,4-bis-(4-fluoro-phenyl)-2-oxo-...)
Show SMILES C[N+]1(CC(=O)c2cccc(F)c2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H26F3N3O2/c1-34(17-26(35)19-3-2-4-24(31)15-19)14-13-25(16-34)33-18-28(32-27(33)36,20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21/h2-12,15,25H,13-14,16-18H2,1H3/p+1/t25-,34?/m1/s1
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3.01n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207987
PNG
(3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H28ClN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20H2,(H,29,32)
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3.15n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208014
PNG
(3-(1-benzyl-tropin-4-yl)-5,5-diphenyl-imidazolidin...)
Show SMILES O=C1NC(CN1C1CC2CCC(C1)N2Cc1ccccc1)(c1ccccc1)c1ccccc1 |TLB:5:6:13:9.10|
Show InChI InChI=1S/C29H31N3O/c33-28-30-29(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-32(28)27-18-25-16-17-26(19-27)31(25)20-22-10-4-1-5-11-22/h1-15,25-27H,16-21H2,(H,30,33)
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4.10n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208004
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Fc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H28FN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20H2,(H,29,32)
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4.32n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207998
PNG
(3-(1-(3-methylbenzyl)-piperidin-4-yl)-5-phenyl-5-c...)
Show SMILES Cc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
Show InChI InChI=1S/C28H37N3O/c1-22-9-8-10-23(19-22)20-30-17-15-26(16-18-30)31-21-28(29-27(31)32,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2,4-5,8-12,19,25-26H,3,6-7,13-18,20-21H2,1H3,(H,29,32)
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4.54n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208006
PNG
(3-(1-(3-fluorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...)
Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(F)c3)CC2)C(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26F3N3O/c28-22-8-4-20(5-9-22)27(21-6-10-23(29)11-7-21)18-33(26(34)31-27)25-12-14-32(15-13-25)17-19-2-1-3-24(30)16-19/h1-11,16,25H,12-15,17-18H2,(H,31,34)
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4.83n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208047
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c1-31(19-17-23-11-5-2-6-12-23)20-18-26(21-31)30-22-28(29-27(30)32,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26H,17-22H2,1H3/p+1
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5.40n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207999
PNG
(3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5-phenyl-5-c...)
Show SMILES Clc1cccc(CN2CCC(CC2)N2CC(NC2=O)(C2CCCCC2)c2ccccc2)c1
Show InChI InChI=1S/C27H34ClN3O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,13,18,23,25H,2,5-6,11-12,14-17,19-20H2,(H,29,32)
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6.59n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208036
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31N3O2/c1-32(20-26-27(34-26)22-11-5-2-6-12-22)18-17-25(19-32)31-21-29(30-28(31)33,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25-27H,17-21H2,1H3/p+1/t25?,26-,27-,32?/m1/s1
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6.66n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208007
PNG
(3-(1-(3-chlorobenzyl)-piperidin-4-yl)-5,5-di-(4-fl...)
Show SMILES Fc1ccc(cc1)C1(CN(C2CCN(Cc3cccc(Cl)c3)CC2)C(=O)N1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26ClF2N3O/c28-22-3-1-2-19(16-22)17-32-14-12-25(13-15-32)33-18-27(31-26(33)34,20-4-8-23(29)9-5-20)21-6-10-24(30)11-7-21/h1-11,16,25H,12-15,17-18H2,(H,31,34)
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6.70n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208039
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCOCc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c1-32(19-20-34-22-24-11-5-2-6-12-24)18-17-27(21-32)31-23-29(30-28(31)33,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,27H,17-23H2,1H3/p+1
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6.70n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208008
PNG
(3-(1-(3-hydroxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES Oc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H29N3O2/c31-25-13-7-8-21(18-25)19-29-16-14-24(15-17-29)30-20-27(28-26(30)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,24,31H,14-17,19-20H2,(H,28,32)
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7.60n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208054
PNG
(1-methyl-3-(S)-(2-oxo-4,4-diphenyl-imidazolidin-1-...)
Show SMILES C[N+]1(CCOc2ccccc2)CC[C@@H](C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H31N3O2/c1-31(19-20-33-26-15-9-4-10-16-26)18-17-25(21-31)30-22-28(29-27(30)32,23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,25H,17-22H2,1H3/p+1/t25-,31?/m0/s1
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7.60n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207988
PNG
(3-(1-(3-aminobenzyl)-piperidin-4-yl)-5,5-diphenyl-...)
Show SMILES Nc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C27H30N4O/c28-24-13-7-8-21(18-24)19-30-16-14-25(15-17-30)31-20-27(29-26(31)32,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,18,25H,14-17,19-20,28H2,(H,29,32)
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7.90n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207997
PNG
(3-(1-(3-methoxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES COc1cccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C28H31N3O2/c1-33-26-14-8-9-22(19-26)20-30-17-15-25(16-18-30)31-21-28(29-27(31)32,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-14,19,25H,15-18,20-21H2,1H3,(H,29,32)
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8.80n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208056
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CCCOc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33N3O2/c1-32(19-11-21-34-27-16-9-4-10-17-27)20-18-26(22-32)31-23-29(30-28(31)33,24-12-5-2-6-13-24)25-14-7-3-8-15-25/h2-10,12-17,26H,11,18-23H2,1H3/p+1
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8.84n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208034
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CC(=O)Nc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N4O2/c1-32(20-26(33)29-24-15-9-4-10-16-24)18-17-25(19-32)31-21-28(30-27(31)34,22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3,(H-,29,30,33,34)/p+1
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9.11n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208034
PNG
(1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-...)
Show SMILES C[N+]1(CC(=O)Nc2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N4O2/c1-32(20-26(33)29-24-15-9-4-10-16-24)18-17-25(19-32)31-21-28(30-27(31)34,22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-16,25H,17-21H2,1H3,(H-,29,30,33,34)/p+1
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9.92n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208020
PNG
((R)-3-(1-benzyl-pyrrolidin-3-yl)-5,5-diphenyl-imid...)
Show SMILES O=C1NC(CN1[C@@H]1CCN(Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3O/c30-25-27-26(22-12-6-2-7-13-22,23-14-8-3-9-15-23)20-29(25)24-16-17-28(19-24)18-21-10-4-1-5-11-21/h1-15,24H,16-20H2,(H,27,30)/t24-/m1/s1
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13.3n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208019
PNG
(3-(1-(2-thienylmethyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES O=C1NC(CN1C1CCN(Cc2cccs2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27N3OS/c29-24-26-25(20-8-3-1-4-9-20,21-10-5-2-6-11-21)19-28(24)22-13-15-27(16-14-22)18-23-12-7-17-30-23/h1-12,17,22H,13-16,18-19H2,(H,26,29)
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13.4n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208005
PNG
(3-(1-(2-chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Clc1ccccc1CN1CCC(CC1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28ClN3O/c28-25-14-8-7-9-21(25)19-30-17-15-24(16-18-30)31-20-27(29-26(31)32,22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-14,24H,15-20H2,(H,29,32)
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13.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50207994
PNG
(3-(1-(4-chlorobenzyl)-piperidin-4-yl)-5,5-diphenyl...)
Show SMILES Clc1ccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C27H28ClN3O/c28-24-13-11-21(12-14-24)19-30-17-15-25(16-18-30)31-20-27(29-26(31)32,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,25H,15-20H2,(H,29,32)
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16.5n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208011
PNG
(3-(1-benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidi...)
Show SMILES O=C1OC(CN1C1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-26-29(25-16-18-28(19-17-25)20-22-10-4-1-5-11-22)21-27(31-26,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25H,16-21H2
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16.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208027
PNG
(1-(1-benzyl-piperidin-4-yl)-3-methyl-4,4-diphenyl-...)
Show SMILES CN1C(=O)N(CC1(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C28H31N3O/c1-29-27(32)31(26-17-19-30(20-18-26)21-23-11-5-2-6-12-23)22-28(29,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26H,17-22H2,1H3
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18.5n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50208043
PNG
(1-methyl-3-(R)-[4,4-Bis-(4-fluoro-phenyl)-2-oxo-im...)
Show SMILES C[N+]1(CCc2ccccc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3O/c1-33(17-15-21-5-3-2-4-6-21)18-16-26(19-33)32-20-28(31-27(32)34,22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h2-14,26H,15-20H2,1H3/p+1/t26-,33?/m1/s1
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21.9n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M2 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208046
PNG
(1-methyl-3-(R)-3-[4,4-bis-(4-fluoro-phenyl)-2-oxo-...)
Show SMILES C[N+]1(CC(=O)c2cccnc2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H26F2N4O2/c1-33(17-25(34)19-3-2-13-30-15-19)14-12-24(16-33)32-18-27(31-26(32)35,20-4-8-22(28)9-5-20)21-6-10-23(29)11-7-21/h2-11,13,15,24H,12,14,16-18H2,1H3/p+1/t24-,33?/m1/s1
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22.9n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHOK1 cells


J Med Chem 50: 1693-7 (2007)


Article DOI: 10.1021/jm061160+
BindingDB Entry DOI: 10.7270/Q2M32VF5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208025
PNG
(3-(1-(4-methoxybenzyl)-piperidin-4-yl)-5,5-dipheny...)
Show SMILES COc1ccc(CN2CCC(CC2)N2CC(NC2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C28H31N3O2/c1-33-26-14-12-22(13-15-26)20-30-18-16-25(17-19-30)31-21-28(29-27(31)32,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,25H,16-21H2,1H3,(H,29,32)
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25.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50208026
PNG
(1-(1-benzyl-piperidin-4-yl)-3-benzyl-4-phenyl-imid...)
Show SMILES O=C1N(Cc2ccccc2)C(CN1C1CCN(Cc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C28H31N3O/c32-28-30(26-16-18-29(19-17-26)20-23-10-4-1-5-11-23)22-27(25-14-8-3-9-15-25)31(28)21-24-12-6-2-7-13-24/h1-15,26-27H,16-22H2
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26.8n/an/an/an/an/an/an/an/a



Via Zambeletti 25

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl-scopalamine from human muscarinic M3 receptor expressed in CHO K1 cells


J Med Chem 50: 1571-83 (2007)


Article DOI: 10.1021/jm061159a
BindingDB Entry DOI: 10.7270/Q2QV3M61
More data for this
Ligand-Target Pair
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