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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'bacon' and Initial = 'am'   
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 M1


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50381654
PNG
(CHEMBL2023764)
Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-
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0.100n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M2 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50381654
PNG
(CHEMBL2023764)
Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-
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0.120n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M1 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381654
PNG
(CHEMBL2023764)
Show SMILES C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31-
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0.160n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methyl scopolamine from muscarinic acetylcholine M3 receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50345693
PNG
((3-endo)-3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethy...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C24H29N2/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23H,13-17H2,1-2H3/q+1/t22-,23-/m1/s1
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0.170n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.380n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M1 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M3 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50345692
PNG
((3-endo)-3-(2,2-Di-2-thienylethenyl)-8,8-dimethyl-...)
Show SMILES [#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24NS2/c1-20(2)15-7-8-16(20)12-14(11-15)13-17(18-5-3-9-21-18)19-6-4-10-22-19/h3-6,9-10,13-16H,7-8,11-12H2,1-2H3/q+1/t15-,16-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human muscarinic M2 receptor expressed in CHO cells by scintillation proximity assay


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345679
PNG
((3-endo)-3-[2-Hydroxy-2,2-bis(2-methylphenyl)ethyl...)
Show SMILES Cc1ccccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1C |r,TLB:9:10:17:13.14|
Show InChI InChI=1S/C25H34NO/c1-18-9-5-7-11-23(18)25(27,24-12-8-6-10-19(24)2)17-20-15-21-13-14-22(16-20)26(21,3)4/h5-12,20-22,27H,13-17H2,1-4H3/q+1/t21-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345681
PNG
((3-endo)-1,1-Bis-(3-fluorophenyl)-2-(8,8-dimethyl-...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cccc(F)c1)c1cccc(F)c1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C23H28F2NO/c1-26(2)21-9-10-22(26)12-16(11-21)15-23(27,17-5-3-7-19(24)13-17)18-6-4-8-20(25)14-18/h3-8,13-14,16,21-22,27H,9-12,15H2,1-2H3/q+1/t21-,22-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345689
PNG
((3-endo)-1,1-Bis-(3-thienyl)-2-(8,8-dimethyl-8-azo...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccsc1)c1ccsc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C19H26NOS2/c1-20(2)17-3-4-18(20)10-14(9-17)11-19(21,15-5-7-22-12-15)16-6-8-23-13-16/h5-8,12-14,17-18,21H,3-4,9-11H2,1-2H3/q+1/t17-,18-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345677
PNG
(2-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(O)(c1ccccc1)c1ccccn1)C2 |r,TLB:0:1:7.23.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C21H26N2O/c1-23-18-10-11-19(23)14-16(13-18)15-21(24,17-7-3-2-4-8-17)20-9-5-6-12-22-20/h2-9,12,16,18-19,24H,10-11,13-15H2,1H3/t18-,19-,21?/m1/s1
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n/an/a 19n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345691
PNG
((3-endo)-3-[2-Hydroxy-2,2-bis(2-methylphenyl)ethyl...)
Show SMILES Cc1ccccc1C(O)(CC1C[C@H]2CCC[C@H](C1)[N+]2(C)C)c1ccccc1C |r,TLB:9:10:18:13.15.14|
Show InChI InChI=1S/C26H36NO/c1-19-10-5-7-14-24(19)26(28,25-15-8-6-11-20(25)2)18-21-16-22-12-9-13-23(17-21)27(22,3)4/h5-8,10-11,14-15,21-23,28H,9,12-13,16-18H2,1-4H3/q+1/t22-,23-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345682
PNG
((3-endo)-3-[2,2-Bis(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cccc(Cl)c1)c1cccc(Cl)c1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C23H28Cl2NO/c1-26(2)21-9-10-22(26)12-16(11-21)15-23(27,17-5-3-7-19(24)13-17)18-6-4-8-20(25)14-18/h3-8,13-14,16,21-22,27H,9-12,15H2,1-2H3/q+1/t21-,22-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381644
PNG
(CHEMBL2023761)
Show SMILES C[N@@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.0,wD:11.13,1.1,TLB:2:1:11.10.28:8.7,THB:12:11:1:8.7,0:1:11.10.28:8.7,(32.95,-38.67,;31.86,-39.76,;30.37,-39.36,;29.98,-37.87,;30.37,-36.38,;28.88,-36.78,;32.92,-40.6,;32.32,-41.94,;31.14,-42.65,;32.12,-41.3,;33.97,-41.3,;34.95,-42.11,;35.72,-43.44,;37.26,-43.44,;37.65,-41.94,;38.05,-40.44,;38.04,-44.77,;37.26,-46.1,;38.04,-47.43,;39.58,-47.43,;40.35,-46.09,;39.57,-44.76,;38.74,-43.03,;39.84,-44.12,;41.32,-43.71,;41.7,-42.22,;40.6,-41.14,;39.12,-41.55,;34.68,-40.56,)|
Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29+
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n/an/a 26.3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381645
PNG
(CHEMBL2023763)
Show SMILES C[N@@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.0,wD:13.14,1.1,TLB:2:1:13.12.30:10.9,THB:0:1:13.12.30:10.9,14:13:1:10.9,(8.47,.51,;7.71,-.83,;6.21,-.43,;5.82,1.06,;4.33,1.46,;3.94,2.95,;2.45,3.36,;2.06,4.84,;8.76,-1.67,;8.16,-3.01,;6.98,-3.72,;7.97,-2.37,;9.81,-2.37,;10.79,-3.18,;11.56,-4.51,;13.1,-4.51,;13.49,-3.01,;13.89,-1.51,;13.88,-5.84,;13.11,-7.17,;13.88,-8.5,;15.42,-8.5,;16.19,-7.15,;15.41,-5.83,;14.58,-4.1,;15.68,-5.18,;17.16,-4.77,;17.54,-3.29,;16.44,-2.21,;14.96,-2.62,;10.52,-1.63,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31+
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345686
PNG
((3-endo)-1,1-Bis(5-fluoro-2-methylphenyl)-2-(8,8-d...)
Show SMILES Cc1ccc(F)cc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1cc(F)ccc1C |r,TLB:10:11:18:14.15|
Show InChI InChI=1S/C25H32F2NO/c1-16-5-7-19(26)13-23(16)25(29,24-14-20(27)8-6-17(24)2)15-18-11-21-9-10-22(12-18)28(21,3)4/h5-8,13-14,18,21-22,29H,9-12,15H2,1-4H3/q+1/t21-,22-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381643
PNG
(CHEMBL2023759)
Show SMILES CCCCCCCCCCCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:19.20,TLB:13:12:19.18.36:16.15,THB:11:12:19.18.36:16.15,20:19:12:16.15,(4.9,-32.84,;5.68,-34.17,;4.92,-35.51,;5.7,-36.84,;4.94,-38.18,;5.72,-39.5,;4.96,-40.84,;5.74,-42.17,;4.97,-43.51,;5.75,-44.84,;4.99,-46.18,;5.77,-47.51,;5.01,-48.85,;3.52,-48.44,;6.07,-49.68,;5.47,-51.02,;4.29,-51.73,;5.27,-50.38,;7.11,-50.38,;8.09,-51.19,;8.86,-52.52,;10.4,-52.52,;10.8,-51.02,;11.19,-49.52,;11.18,-53.85,;10.41,-55.18,;11.18,-56.51,;12.72,-56.51,;13.49,-55.16,;12.71,-53.84,;11.88,-52.11,;12.98,-53.19,;14.46,-52.79,;14.84,-51.3,;13.74,-50.22,;12.26,-50.63,;7.82,-49.65,)|
Show InChI InChI=1S/C35H51N2/c1-3-4-5-6-7-8-9-10-11-18-25-37(2)33-23-24-34(37)27-30(26-33)28-35(29-36,31-19-14-12-15-20-31)32-21-16-13-17-22-32/h12-17,19-22,30,33-34H,3-11,18,23-28H2,1-2H3/q+1/t30-,33?,34?,37?
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n/an/a 64n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345690
PNG
((3-endo)-3-[2-Hydroxy-2,2-bis(4-methyl-3-thienyl)e...)
Show SMILES Cc1cc(cs1)C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1csc(C)c1 |r,TLB:8:9:16:12.13|
Show InChI InChI=1S/C21H30NOS2/c1-14-7-17(12-24-14)21(23,18-8-15(2)25-13-18)11-16-9-19-5-6-20(10-16)22(19,3)4/h7-8,12-13,16,19-20,23H,5-6,9-11H2,1-4H3/q+1/t19-,20-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345685
PNG
((3-endo)-1,1-Bis(3-fluoro-2-methylphenyl)-2-(8,8-d...)
Show SMILES Cc1c(F)cccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1cccc(F)c1C |r,TLB:10:11:18:14.15|
Show InChI InChI=1S/C25H32F2NO/c1-16-21(7-5-9-23(16)26)25(29,22-8-6-10-24(27)17(22)2)15-18-13-19-11-12-20(14-18)28(19,3)4/h5-10,18-20,29H,11-15H2,1-4H3/q+1/t19-,20-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345684
PNG
((3-endo)-1,1-Bis-(4-chlorophenyl)-2-(8,8-dimethyl-...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C23H28Cl2NO/c1-26(2)21-11-12-22(26)14-16(13-21)15-23(27,17-3-7-19(24)8-4-17)18-5-9-20(25)10-6-18/h3-10,16,21-22,27H,11-15H2,1-2H3/q+1/t21-,22-/m1/s1
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n/an/a 74n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381642
PNG
(CHEMBL2023757)
Show SMILES C[N+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:13.14,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(30.98,-25.88,;32.47,-26.28,;33.23,-24.94,;32.46,-23.61,;33.22,-22.28,;32.44,-20.95,;33.2,-19.61,;32.42,-18.28,;33.53,-27.12,;32.93,-28.45,;31.75,-29.17,;32.73,-27.82,;34.57,-27.82,;35.55,-28.63,;36.33,-29.96,;37.87,-29.96,;38.26,-28.46,;38.65,-26.96,;38.64,-31.29,;37.87,-32.62,;38.64,-33.95,;40.18,-33.95,;40.95,-32.6,;40.17,-31.28,;39.35,-29.55,;40.44,-30.63,;41.92,-30.22,;42.31,-28.73,;41.2,-27.65,;39.73,-28.07,;35.29,-27.08,)|
Show InChI InChI=1S/C29H37N2/c1-3-4-5-12-19-31(2)27-17-18-28(31)21-24(20-27)22-29(23-30,25-13-8-6-9-14-25)26-15-10-7-11-16-26/h3,6-11,13-16,24,27-28H,1,4-5,12,17-22H2,2H3/q+1/t24-,27?,28?,31?
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n/an/a 85.2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381637
PNG
(CHEMBL2023754)
Show SMILES C[N+]1(CC2CCCCC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.16,TLB:0:1:14.13.31:11.10,THB:2:1:14.13.31:11.10,15:14:1:11.10,(-9.32,-23.68,;-7.82,-24.09,;-7.06,-22.75,;-7.84,-21.42,;-7.08,-20.08,;-7.85,-18.76,;-9.39,-18.76,;-10.16,-20.1,;-9.38,-21.44,;-6.77,-24.92,;-7.37,-26.26,;-8.55,-26.97,;-7.56,-25.63,;-5.72,-25.63,;-4.74,-26.43,;-3.97,-27.77,;-2.43,-27.76,;-2.04,-26.27,;-1.65,-24.77,;-1.66,-29.1,;-2.43,-30.42,;-1.65,-31.76,;-.11,-31.75,;.65,-30.41,;-.12,-29.08,;-.95,-27.35,;.14,-28.44,;1.62,-28.03,;2.01,-26.54,;.91,-25.46,;-.57,-25.87,;-5.01,-24.89,)|
Show InChI InChI=1S/C30H39N2/c1-32(22-24-11-5-2-6-12-24)28-17-18-29(32)20-25(19-28)21-30(23-31,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h3-4,7-10,13-16,24-25,28-29H,2,5-6,11-12,17-22H2,1H3/q+1/t25-,28?,29?,32?
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n/an/a 89.6n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381639
PNG
(CHEMBL2023756)
Show SMILES C[N+]1(CCC2CCCCC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:15.17,TLB:0:1:15.14.32:12.11,THB:2:1:15.14.32:12.11,16:15:1:12.11,(16.43,-25.46,;17.93,-25.86,;18.69,-24.52,;17.91,-23.19,;18.67,-21.86,;20.21,-21.86,;20.97,-20.52,;20.2,-19.19,;18.66,-19.2,;17.89,-20.54,;18.98,-26.7,;18.38,-28.03,;17.2,-28.75,;18.19,-27.4,;20.03,-27.4,;21.01,-28.21,;21.78,-29.54,;23.32,-29.54,;23.71,-28.04,;24.11,-26.54,;24.1,-30.87,;23.33,-32.2,;24.1,-33.53,;25.64,-33.53,;26.41,-32.18,;25.63,-30.86,;24.8,-29.13,;25.9,-30.21,;27.38,-29.8,;27.76,-28.31,;26.66,-27.23,;25.18,-27.65,;20.74,-26.66,)|
Show InChI InChI=1S/C31H41N2/c1-33(20-19-25-11-5-2-6-12-25)29-17-18-30(33)22-26(21-29)23-31(24-32,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h3-4,7-10,13-16,25-26,29-30H,2,5-6,11-12,17-23H2,1H3/q+1/t26-,29?,30?,33?
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n/an/a 109n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345687
PNG
((3-endo)-3-[2,2-Bis(3,5-difluorophenyl)-2-hydroxye...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C23H26F4NO/c1-28(2)21-3-4-22(28)6-14(5-21)13-23(29,15-7-17(24)11-18(25)8-15)16-9-19(26)12-20(27)10-16/h7-12,14,21-22,29H,3-6,13H2,1-2H3/q+1/t21-,22-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345676
PNG
(3-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CCC(O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.24.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H29NO/c1-24-21-12-13-22(24)17-18(16-21)14-15-23(25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22,25H,12-17H2,1H3/t21-,22-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345678
PNG
(1-(endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-...)
Show SMILES CCC(O)(CC1C[C@H]2CC[C@H](C1)N2C)c1ccccc1 |r,TLB:13:12:5.6.11:8.9,4:5:12:8.9|
Show InChI InChI=1S/C18H27NO/c1-3-18(20,15-7-5-4-6-8-15)13-14-11-16-9-10-17(12-14)19(16)2/h4-8,14,16-17,20H,3,9-13H2,1-2H3/t16-,17-,18?/m1/s1
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n/an/a 135n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297133
PNG
(CHEMBL561879 | endo-8-methyl-3-(2,2,2-triphenyleth...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C28H31N/c1-29-26-17-18-27(29)20-22(19-26)21-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,22,26-27H,17-21H2,1H3/t26-,27-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345688
PNG
((3-endo)-1,1-Bis(3,4-difluorophenyl)-2-(8,8-dimeth...)
Show SMILES C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(O)(c1ccc(F)c(F)c1)c1ccc(F)c(F)c1)C2 |r,THB:9:8:1:4.5|
Show InChI InChI=1S/C23H26F4NO/c1-28(2)17-5-6-18(28)10-14(9-17)13-23(29,15-3-7-19(24)21(26)11-15)16-4-8-20(25)22(27)12-16/h3-4,7-8,11-12,14,17-18,29H,5-6,9-10,13H2,1-2H3/q+1/t17-,18-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381638
PNG
(CHEMBL2023755)
Show SMILES C[N+]1(Cc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:14.16,TLB:0:1:14.13.31:11.10,THB:2:1:14.13.31:11.10,15:14:1:11.10,(3.57,-24.52,;5.06,-24.93,;5.83,-23.59,;5.05,-22.26,;5.81,-20.92,;5.04,-19.6,;3.5,-19.6,;2.73,-20.94,;3.51,-22.28,;6.12,-25.76,;5.52,-27.1,;4.34,-27.81,;5.33,-26.47,;7.17,-26.47,;8.14,-27.27,;8.92,-28.61,;10.46,-28.6,;10.85,-27.11,;11.24,-25.61,;11.23,-29.94,;10.46,-31.26,;11.23,-32.6,;12.78,-32.59,;13.54,-31.25,;12.77,-29.92,;11.94,-28.19,;13.03,-29.28,;14.51,-28.87,;14.9,-27.38,;13.8,-26.3,;12.32,-26.71,;7.88,-25.73,)|
Show InChI InChI=1S/C30H33N2/c1-32(22-24-11-5-2-6-12-24)28-17-18-29(32)20-25(19-28)21-30(23-31,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,25,28-29H,17-22H2,1H3/q+1/t25-,28?,29?,32?
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n/an/a 318n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization b...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297134
PNG
(CHEMBL558919 | endo-3-(8-methyl-8-azabicyclo[3.2.1...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C23H27NO2/c1-24-20-12-13-21(24)15-17(14-20)16-23(22(25)26,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3,(H,25,26)/t20-,21-/m1/s1
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n/an/a 687n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297135
PNG
(CHEMBL563305 | endo-N-benzyl-3-(8-methyl-8-azabicy...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.32.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C30H34N2O/c1-32-27-17-18-28(32)20-24(19-27)21-30(25-13-7-3-8-14-25,26-15-9-4-10-16-26)29(33)31-22-23-11-5-2-6-12-23/h2-16,24,27-28H,17-22H2,1H3,(H,31,33)/t27-,28-/m1/s1
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n/an/a 839n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345674
PNG
(1,1-diphenyl-2-(3-tropanyl)ethanol | 2-(endo-8-met...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.23.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C22H27NO/c1-23-20-12-13-21(23)15-17(14-20)16-22(24,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20-21,24H,12-16H2,1H3/t20-,21-/m1/s1
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n/an/a 973n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297131
PNG
(CHEMBL564143 | endo-N-(3-(8-methyl-8-azabicyclo[3....)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.33.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C29H34N2O2S/c1-31-26-17-18-27(31)20-23(19-26)21-29(24-11-5-2-6-12-24,25-13-7-3-8-14-25)22-30-34(32,33)28-15-9-4-10-16-28/h2-16,23,26-27,30H,17-22H2,1H3/t26-,27-/m1/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297128
PNG
(CHEMBL552277 | endo-1-benzyl-3-(3-(8-methyl-8-azab...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.34.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C31H37N3O/c1-34-28-17-18-29(34)20-25(19-28)21-31(26-13-7-3-8-14-26,27-15-9-4-10-16-27)23-33-30(35)32-22-24-11-5-2-6-12-24/h2-16,25,28-29H,17-23H2,1H3,(H2,32,33,35)/t28-,29-/m1/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345675
PNG
((endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)diphe...)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)C(O)(c1ccccc1)c1ccccc1 |r,TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|
Show InChI InChI=1S/C21H25NO/c1-22-19-12-13-20(22)15-18(14-19)21(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,23H,12-15H2,1H3/t19-,20-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297129
PNG
(CHEMBL552481 | endo-1-ethyl-3-(3-(8-methyl-8-azabi...)
Show SMILES CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|
Show InChI InChI=1S/C26H35N3O/c1-3-27-25(30)28-19-26(21-10-6-4-7-11-21,22-12-8-5-9-13-22)18-20-16-23-14-15-24(17-20)29(23)2/h4-13,20,23-24H,3,14-19H2,1-2H3,(H2,27,28,30)/t23-,24-/m1/s1
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n/an/a 1.94E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297132
PNG
(CHEMBL550527 | endo-N-(3-(8-methyl-8-azabicyclo[3....)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C24H32N2O2S/c1-26-22-13-14-23(26)16-19(15-22)17-24(18-25-29(2,27)28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23,25H,13-18H2,1-2H3/t22-,23-/m1/s1
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n/an/a 2.73E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50297130
PNG
(CHEMBL558063 | endo-N-(3-(8-methyl-8-azabicyclo[3....)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(CC(CNC(C)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|
Show InChI InChI=1S/C25H32N2O/c1-19(28)26-18-25(21-9-5-3-6-10-21,22-11-7-4-8-12-22)17-20-15-23-13-14-24(16-20)27(23)2/h3-12,20,23-24H,13-18H2,1-2H3,(H,26,28)/t23-,24-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345680
PNG
((3-endo)-3-{2-Hydroxy-2,2-bis[2-(methyloxy)phenyl]...)
Show SMILES COc1ccccc1C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1OC |r,TLB:10:11:18:14.15|
Show InChI InChI=1S/C25H34NO3/c1-26(2)19-13-14-20(26)16-18(15-19)17-25(27,21-9-5-7-11-23(21)28-3)22-10-6-8-12-24(22)29-4/h5-12,18-20,27H,13-17H2,1-4H3/q+1/t19-,20-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50345683
PNG
((3-endo)-3-{2-Hydroxy-2,2-bis[4-(methyloxy)phenyl]...)
Show SMILES COc1ccc(cc1)C(O)(CC1C[C@H]2CC[C@H](C1)[N+]2(C)C)c1ccc(OC)cc1 |r,TLB:10:11:18:14.15|
Show InChI InChI=1S/C25H34NO3/c1-26(2)21-9-10-22(26)16-18(15-21)17-25(27,19-5-11-23(28-3)12-6-19)20-7-13-24(29-4)14-8-20/h5-8,11-14,18,21-22,27H,9-10,15-17H2,1-4H3/q+1/t21-,22-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist activity against human M3 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by FLIPR


J Med Chem 52: 5241-52 (2010)


Article DOI: 10.1021/jm900736e
BindingDB Entry DOI: 10.7270/Q2PK0H54
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381646
PNG
(CHEMBL2023749)
Show SMILES C[N+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:11.13,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(5.68,2.81,;7.18,2.4,;7.94,3.74,;7.16,5.07,;7.16,6.61,;5.83,5.83,;8.23,1.57,;7.63,.23,;6.45,-.48,;7.44,.86,;9.28,.86,;10.26,.06,;11.04,-1.28,;12.58,-1.27,;12.97,.23,;13.36,1.72,;13.35,-2.61,;12.58,-3.94,;13.35,-5.27,;14.9,-5.27,;15.66,-3.92,;14.89,-2.59,;14.06,-.86,;15.15,-1.95,;16.63,-1.54,;17.02,-.05,;15.92,1.03,;14.44,.62,;10,1.6,)|
Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29?
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381647
PNG
(CHEMBL2023612)
Show SMILES CC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:9.10,TLB:3:2:9.8.26:6.5,THB:1:2:9.8.26:6.5,10:9:2:6.5,(20.18,4.9,;20.96,3.57,;20.2,2.23,;18.7,2.64,;21.25,1.4,;20.65,.06,;19.47,-.65,;20.46,.69,;22.3,.69,;23.28,-.12,;24.05,-1.45,;25.59,-1.44,;25.99,.05,;26.38,1.55,;26.37,-2.78,;25.6,-4.11,;26.37,-5.44,;27.91,-5.44,;28.68,-4.09,;27.9,-2.76,;27.08,-1.04,;28.17,-2.12,;29.65,-1.71,;30.04,-.22,;28.93,.86,;27.46,.45,;23.01,1.43,)|
Show InChI InChI=1S/C25H31N2/c1-3-27(2)23-14-15-24(27)17-20(16-23)18-25(19-26,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,20,23-24H,3,14-18H2,1-2H3/q+1/t20-,23?,24?,27?
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n/an/an/a 0.0501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381648
PNG
(CHEMBL2023750)
Show SMILES C[N+]1(CCO)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:0:1:10.9.27:7.6,THB:2:1:10.9.27:7.6,11:10:1:7.6,(-9.08,-9.39,;-7.59,-9.8,;-6.82,-8.46,;-7.6,-7.13,;-6.84,-5.79,;-6.53,-10.63,;-7.13,-11.97,;-8.31,-12.68,;-7.32,-11.34,;-5.48,-11.34,;-4.5,-12.15,;-3.73,-13.48,;-2.19,-13.48,;-1.8,-11.98,;-1.41,-10.48,;-1.42,-14.81,;-2.19,-16.14,;-1.41,-17.47,;.13,-17.47,;.9,-16.12,;.12,-14.79,;-.71,-13.07,;.38,-14.15,;1.87,-13.74,;2.25,-12.25,;1.15,-11.17,;-.33,-11.59,;-4.77,-10.6,)|
Show InChI InChI=1S/C25H31N2O/c1-27(14-15-28)23-12-13-24(27)17-20(16-23)18-25(19-26,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-11,20,23-24,28H,12-18H2,1H3/q+1/t20-,23?,24?,27?
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381649
PNG
(CHEMBL2023751)
Show SMILES C[N+]1(CC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:10.11,TLB:0:1:10.9.27:7.6,THB:2:1:10.9.27:7.6,11:10:1:7.6,(4.71,-10.44,;6.21,-10.84,;6.97,-9.5,;6.19,-8.18,;6.95,-6.84,;7.26,-11.68,;6.66,-13.02,;5.48,-13.73,;6.47,-12.38,;8.31,-12.38,;9.29,-13.19,;10.06,-14.52,;11.6,-14.52,;11.99,-13.02,;12.39,-11.52,;12.37,-15.85,;11.61,-17.18,;12.38,-18.51,;13.92,-18.51,;14.69,-17.16,;13.91,-15.84,;13.08,-14.11,;14.17,-15.19,;15.65,-14.78,;16.04,-13.3,;14.94,-12.22,;13.46,-12.63,;9.02,-11.64,)|
Show InChI InChI=1S/C26H31N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h3-13,21,24-25H,1,14-19H2,2H3/q+1/t21-,24?,25?,28?
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n/an/an/a 1.26n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381650
PNG
(CHEMBL2023752)
Show SMILES COCC[N+]1(C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:11.12,TLB:5:4:11.10.28:8.7,THB:3:4:11.10.28:8.7,12:11:4:8.7,(18.45,-5.24,;19.23,-6.57,;18.46,-7.91,;19.24,-9.24,;18.48,-10.58,;16.99,-10.17,;19.54,-11.41,;18.94,-12.75,;17.76,-13.46,;18.74,-12.12,;20.58,-12.12,;21.56,-12.93,;22.34,-14.26,;23.88,-14.25,;24.27,-12.76,;24.66,-11.26,;24.65,-15.59,;23.88,-16.92,;24.65,-18.25,;26.19,-18.24,;26.96,-16.9,;26.18,-15.57,;25.36,-13.85,;26.45,-14.93,;27.93,-14.52,;28.32,-13.03,;27.21,-11.95,;25.74,-12.37,;21.3,-11.38,)|
Show InChI InChI=1S/C26H33N2O/c1-28(15-16-29-2)24-13-14-25(28)18-21(17-24)19-26(20-27,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24-25H,13-19H2,1-2H3/q+1/t21-,24?,25?,28?
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n/an/an/a 0.501n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381651
PNG
(CHEMBL2023753)
Show SMILES C[N+]1(CCCC#N)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:12.13,TLB:0:1:12.11.29:9.8,THB:2:1:12.11.29:9.8,13:12:1:9.8,(31.05,-10.98,;32.55,-11.38,;33.31,-10.04,;32.53,-8.71,;33.29,-7.37,;34.83,-7.36,;36.36,-7.35,;33.6,-12.21,;33,-13.55,;31.82,-14.26,;32.81,-12.92,;34.65,-12.92,;35.63,-13.73,;36.4,-15.06,;37.94,-15.06,;38.33,-13.56,;38.72,-12.06,;38.71,-16.39,;37.94,-17.72,;38.72,-19.05,;40.26,-19.05,;41.02,-17.7,;40.25,-16.37,;39.42,-14.65,;40.51,-15.73,;41.99,-15.32,;42.38,-13.83,;41.28,-12.75,;39.8,-13.17,;35.36,-12.18,)|
Show InChI InChI=1S/C27H32N3/c1-30(17-9-8-16-28)25-14-15-26(30)19-22(18-25)20-27(21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,22,25-26H,8-9,14-15,17-20H2,1H3/q+1/t22-,25?,26?,30?
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n/an/an/a 0.158n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381652
PNG
(CHEMBL2023760)
Show SMILES C[N@+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:11.13,1.0,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(16.85,-39.66,;18.34,-40.07,;19.1,-38.73,;18.32,-37.4,;18.31,-35.87,;16.98,-36.65,;19.4,-40.91,;18.8,-42.24,;17.62,-42.96,;18.6,-41.61,;20.45,-41.61,;21.43,-42.42,;22.2,-43.75,;23.74,-43.75,;24.13,-42.25,;24.53,-40.75,;24.52,-45.08,;23.75,-46.41,;24.52,-47.74,;26.06,-47.74,;26.83,-46.4,;26.05,-45.07,;25.22,-43.34,;26.32,-44.42,;27.8,-44.02,;28.19,-42.53,;27.08,-41.44,;25.6,-41.86,;21.16,-40.87,)|
Show InChI InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1/t22-,25?,26?,29-
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n/an/an/a 0.0251n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50381653
PNG
(CHEMBL2021997)
Show SMILES C[N@+]1(CCCOCc2ccccc2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:18.20,1.0,TLB:0:1:18.17.35:15.14,THB:2:1:18.17.35:15.14,19:18:1:15.14,(6.69,-36.05,;8.18,-36.46,;8.95,-35.12,;8.17,-33.79,;8.93,-32.45,;8.15,-31.12,;8.91,-29.78,;8.13,-28.46,;8.9,-27.12,;8.12,-25.79,;6.58,-25.8,;5.82,-27.15,;6.6,-28.47,;9.24,-37.29,;8.64,-38.63,;7.46,-39.34,;8.45,-38,;10.29,-38,;11.26,-38.8,;12.04,-40.14,;13.58,-40.13,;13.97,-38.64,;14.36,-37.14,;14.35,-41.47,;13.58,-42.79,;14.35,-44.13,;15.9,-44.12,;16.66,-42.78,;15.89,-41.45,;15.06,-39.72,;16.15,-40.81,;17.63,-40.4,;18.02,-38.91,;16.92,-37.83,;15.44,-38.24,;11,-37.26,)|
Show InChI InChI=1S/C33H39N2O/c1-35(20-11-21-36-25-27-12-5-2-6-13-27)31-18-19-32(35)23-28(22-31)24-33(26-34,29-14-7-3-8-15-29)30-16-9-4-10-17-30/h2-10,12-17,28,31-32H,11,18-25H2,1H3/q+1/t28-,31?,32?,35-
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n/an/an/a 0.0398n/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Antagonist potency at human muscarinic acetylcholine M3 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium mobilization by...


Bioorg Med Chem Lett 22: 3366-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.015
BindingDB Entry DOI: 10.7270/Q2C82B9Q
More data for this
Ligand-Target Pair
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