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Compile Data Set for Download or QSAR

Found 108 hits with Last Name = 'buffet' and Initial = 'n'   
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))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
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n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 2.10n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223990
PNG
(8,8-dimethyl-3-(phenyl-thiophen-2-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(15-20-9-6-12-26-20)16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 2.30n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223990
PNG
(8,8-dimethyl-3-(phenyl-thiophen-2-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(15-20-9-6-12-26-20)16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 2.40n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223981
PNG
(8,8-dimethyl-3-(phenyl-thiophen-3-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(14-16-10-11-26-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 2.60n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223991
PNG
(3-(benzyl-thiophen-2-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(20-9-6-12-26-20)15-16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 2.70n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223981
PNG
(8,8-dimethyl-3-(phenyl-thiophen-3-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(14-16-10-11-26-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 2.80n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223991
PNG
(3-(benzyl-thiophen-2-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(20-9-6-12-26-20)15-16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223993
PNG
(8,8-dimethyl-3-[(3-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H29N2O2S/c1-16-11-12-27-21(16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 3.80n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223980
PNG
(3-(benzyl-phenyl-carbamoyloxy)-8,8-dimethyl-8-azon...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H29N2O2/c1-25(2)20-13-14-21(25)16-22(15-20)27-23(26)24(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12,20-22H,13-17H2,1-2H3/q+1
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n/an/a 4.5n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223980
PNG
(3-(benzyl-phenyl-carbamoyloxy)-8,8-dimethyl-8-azon...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H29N2O2/c1-25(2)20-13-14-21(25)16-22(15-20)27-23(26)24(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12,20-22H,13-17H2,1-2H3/q+1
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n/an/a 4.60n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223983
PNG
(3-(cyclohexylmethyl-thiophen-3-yl-carbamoyloxy)-8,...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H33N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h10-11,15-16,18-20H,3-9,12-14H2,1-2H3/q+1
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n/an/a 5.80n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223993
PNG
(8,8-dimethyl-3-[(3-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H29N2O2S/c1-16-11-12-27-21(16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 6.40n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223994
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2S2/c1-19-14-2-3-15(19)9-17(8-14)22-18(21)20(16-5-7-24-12-16)10-13-4-6-23-11-13/h4-7,11-12,14-15,17H,2-3,8-10H2,1H3
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n/an/a 7.20n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223976
PNG
(8,8-dimethyl-3-(thiophen-3-yl-thiophen-3-ylmethyl-...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H25N2O2S2/c1-21(2)16-3-4-17(21)10-18(9-16)23-19(22)20(15-6-8-25-13-15)11-14-5-7-24-12-14/h5-8,12-13,16-18H,3-4,9-11H2,1-2H3/q+1
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n/an/a 7.20n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223964
PNG
(3-(benzyl-thiophen-3-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 10.9n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223963
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-7-8-17(21)12-19(11-16)24-20(23)22(18-9-10-25-14-18)13-15-5-3-2-4-6-15/h2-6,9-10,14,16-17,19H,7-8,11-13H2,1H3
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n/an/a 10.9n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223983
PNG
(3-(cyclohexylmethyl-thiophen-3-yl-carbamoyloxy)-8,...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H33N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h10-11,15-16,18-20H,3-9,12-14H2,1-2H3/q+1
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n/an/a 11.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223970
PNG
(3-(furan-3-ylmethyl-phenyl-carbamoyloxy)-8,8-dimet...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O3/c1-23(2)18-8-9-19(23)13-20(12-18)26-21(24)22(14-16-10-11-25-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 12.2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223990
PNG
(8,8-dimethyl-3-(phenyl-thiophen-2-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(15-20-9-6-12-26-20)16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 12.5n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223994
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2S2/c1-19-14-2-3-15(19)9-17(8-14)22-18(21)20(16-5-7-24-12-16)10-13-4-6-23-11-13/h4-7,11-12,14-15,17H,2-3,8-10H2,1H3
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n/an/a 13.8n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223991
PNG
(3-(benzyl-thiophen-2-yl-carbamoyloxy)-8,8-dimethyl...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)17-10-11-18(23)14-19(13-17)25-21(24)22(20-9-6-12-26-20)15-16-7-4-3-5-8-16/h3-9,12,17-19H,10-11,13-15H2,1-2H3/q+1
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n/an/a 13.8n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223987
PNG
(8,8-dimethyl-3-[(3-methyl-furan-2-ylmethyl)-phenyl...)
Show SMILES Cc1ccoc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H29N2O3/c1-16-11-12-26-21(16)15-23(17-7-5-4-6-8-17)22(25)27-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 15.2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223995
PNG
(8,8-dimethyl-3-[(5-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)s1 |w:15.15,12.12,TLB:9:10:17:13.14|
Show InChI InChI=1S/C22H29N2O2S/c1-16-9-12-21(27-16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-10-11-19(14-20)24(18,2)3/h4-9,12,18-20H,10-11,13-15H2,1-3H3/q+1
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n/an/a 15.8n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223970
PNG
(3-(furan-3-ylmethyl-phenyl-carbamoyloxy)-8,8-dimet...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O3/c1-23(2)18-8-9-19(23)13-20(12-18)26-21(24)22(14-16-10-11-25-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223963
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-7-8-17(21)12-19(11-16)24-20(23)22(18-9-10-25-14-18)13-15-5-3-2-4-6-15/h2-6,9-10,14,16-17,19H,7-8,11-13H2,1H3
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n/an/a 19.1n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223994
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl thiophen-3...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C18H22N2O2S2/c1-19-14-2-3-15(19)9-17(8-14)22-18(21)20(16-5-7-24-12-16)10-13-4-6-23-11-13/h4-7,11-12,14-15,17H,2-3,8-10H2,1H3
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n/an/a 19.6n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223992
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 20.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223995
PNG
(8,8-dimethyl-3-[(5-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)s1 |w:15.15,12.12,TLB:9:10:17:13.14|
Show InChI InChI=1S/C22H29N2O2S/c1-16-9-12-21(27-16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-10-11-19(14-20)24(18,2)3/h4-9,12,18-20H,10-11,13-15H2,1-3H3/q+1
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n/an/a 21.2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223984
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(19-8-5-11-25-19)14-15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 22.9n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223984
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(19-8-5-11-25-19)14-15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 26.5n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223960
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-17-7-8-18(21)12-19(11-17)24-20(23)22(13-15-9-10-25-14-15)16-5-3-2-4-6-16/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3
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n/an/a 27.5n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223981
PNG
(8,8-dimethyl-3-(phenyl-thiophen-3-ylmethyl-carbamo...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(14-16-10-11-26-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 30.2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223961
PNG
(3-[(4-bromo-benzyl)-phenyl-carbamoyloxy]-8,8-dimet...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H28BrN2O2/c1-26(2)20-12-13-21(26)15-22(14-20)28-23(27)25(19-6-4-3-5-7-19)16-17-8-10-18(24)11-9-17/h3-11,20-22H,12-16H2,1-2H3/q+1
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n/an/a 33.4n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223993
PNG
(8,8-dimethyl-3-[(3-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H29N2O2S/c1-16-11-12-27-21(16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 34.7n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223992
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 38.2n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223963
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-7-8-17(21)12-19(11-16)24-20(23)22(18-9-10-25-14-18)13-15-5-3-2-4-6-15/h2-6,9-10,14,16-17,19H,7-8,11-13H2,1H3
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n/an/a 39.1n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223987
PNG
(8,8-dimethyl-3-[(3-methyl-furan-2-ylmethyl)-phenyl...)
Show SMILES Cc1ccoc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|
Show InChI InChI=1S/C22H29N2O3/c1-16-11-12-26-21(16)15-23(17-7-5-4-6-8-17)22(25)27-20-13-18-9-10-19(14-20)24(18,2)3/h4-8,11-12,18-20H,9-10,13-15H2,1-3H3/q+1
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n/an/a 42.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223984
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl benzyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(19-8-5-11-25-19)14-15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 45.1n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223980
PNG
(3-(benzyl-phenyl-carbamoyloxy)-8,8-dimethyl-8-azon...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H29N2O2/c1-25(2)20-13-14-21(25)16-22(15-20)27-23(26)24(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12,20-22H,13-17H2,1-2H3/q+1
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n/an/a 48n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223992
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-16-9-10-17(21)13-18(12-16)24-20(23)22(14-19-8-5-11-25-19)15-6-3-2-4-7-15/h2-8,11,16-18H,9-10,12-14H2,1H3
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n/an/a 48.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223970
PNG
(3-(furan-3-ylmethyl-phenyl-carbamoyloxy)-8,8-dimet...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H27N2O3/c1-23(2)18-8-9-19(23)13-20(12-18)26-21(24)22(14-16-10-11-25-15-16)17-6-4-3-5-7-17/h3-7,10-11,15,18-20H,8-9,12-14H2,1-2H3/q+1
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n/an/a 53.7n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223966
PNG
(3-[(3-cyano-benzyl)-thiophen-3-yl-carbamoyloxy]-8,...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccc(c1)C#N)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C22H26N3O2S/c1-25(2)19-6-7-20(25)12-21(11-19)27-22(26)24(18-8-9-28-15-18)14-17-5-3-4-16(10-17)13-23/h3-5,8-10,15,19-21H,6-7,11-12,14H2,1-2H3/q+1
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n/an/a 55.6n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223983
PNG
(3-(cyclohexylmethyl-thiophen-3-yl-carbamoyloxy)-8,...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C21H33N2O2S/c1-23(2)18-8-9-19(23)13-20(12-18)25-21(24)22(17-10-11-26-15-17)14-16-6-4-3-5-7-16/h10-11,15-16,18-20H,3-9,12-14H2,1-2H3/q+1
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n/an/a 55.9n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223961
PNG
(3-[(4-bromo-benzyl)-phenyl-carbamoyloxy]-8,8-dimet...)
Show SMILES C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|
Show InChI InChI=1S/C23H28BrN2O2/c1-26(2)20-12-13-21(26)15-22(14-20)28-23(27)25(19-6-4-3-5-7-19)16-17-8-10-18(24)11-9-17/h3-11,20-22H,12-16H2,1-2H3/q+1
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n/an/a 56.6n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50223989
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl furan-3-yl...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O3/c1-21-17-7-8-18(21)12-19(11-17)25-20(23)22(13-15-9-10-24-14-15)16-5-3-2-4-6-16/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3
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n/an/a 57.3n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50223995
PNG
(8,8-dimethyl-3-[(5-methyl-thiophen-2-ylmethyl)-phe...)
Show SMILES Cc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)s1 |w:15.15,12.12,TLB:9:10:17:13.14|
Show InChI InChI=1S/C22H29N2O2S/c1-16-9-12-21(27-16)15-23(17-7-5-4-6-8-17)22(25)26-20-13-18-10-11-19(14-20)24(18,2)3/h4-9,12,18-20H,10-11,13-15H2,1-3H3/q+1
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n/an/a 60.8n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M2 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50223960
PNG
(8-methyl-8-aza-bicyclo[3.2.1]octan-3-yl phenyl(thi...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|
Show InChI InChI=1S/C20H24N2O2S/c1-21-17-7-8-18(21)12-19(11-17)24-20(23)22(13-15-9-10-25-14-15)16-5-3-2-4-6-16/h2-6,9-10,14,17-19H,7-8,11-13H2,1H3
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n/an/a 73.8n/an/an/an/an/an/a



GlaxoSmithkline

Curated by ChEMBL


Assay Description
Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells by measuring calcium mobilization


Bioorg Med Chem Lett 17: 6066-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.071
BindingDB Entry DOI: 10.7270/Q2BC3Z8T
More data for this
Ligand-Target Pair
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