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Compile Data Set for Download or QSAR

Found 146 hits with Last Name = 'dufour' and Initial = 'j'   
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))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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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 scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
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))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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0.130n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M3 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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0.150n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
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 M1


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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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 scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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0.640n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M1 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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0.940n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl scopalamine from human cloned muscarinic M2 receptor expressed in CHO cells coexpressing Gqi5 by scintillation proximity...


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
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))
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))
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))
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
Urotensin II receptor


(Homo sapiens (Human))
BDBM50185139
PNG
(CHEMBL3823939)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay


J Med Chem 59: 4740-52 (2016)


BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50185138
PNG
(CHEMBL3822950)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C46H62N10O13S3/c1-27(2)39(46(66)67)53-44(64)37-26-71-70-25-36(51-40(60)32(48)23-38(58)59)43(63)50-35(21-28-11-5-3-6-12-28)45(65)54-56(24-30-13-7-4-8-14-30)72(68,69)55-33(15-9-10-20-47)41(61)49-34(42(62)52-37)22-29-16-18-31(57)19-17-29/h3-8,11-14,16-19,27,32-37,39,55,57H,9-10,15,20-26,47-48H2,1-2H3,(H,49,61)(H,50,63)(H,51,60)(H,52,62)(H,53,64)(H,54,65)(H,58,59)(H,66,67)/t32-,33-,34-,35-,36-,37-,39-/s2
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay


J Med Chem 59: 4740-52 (2016)


BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50185137
PNG
(CHEMBL3823569)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/s2
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay


J Med Chem 59: 4740-52 (2016)


BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50185129
PNG
(CHEMBL3822808)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc(cc2)-c2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C52H66N10O13S3/c1-31(2)45(52(72)73)59-50(70)43-30-77-76-29-42(57-46(66)38(54)27-44(64)65)49(69)56-41(25-32-11-5-3-6-12-32)51(71)60-62(28-34-16-20-36(21-17-34)35-13-7-4-8-14-35)78(74,75)61-39(15-9-10-24-53)47(67)55-40(48(68)58-43)26-33-18-22-37(63)23-19-33/h3-8,11-14,16-23,31,38-43,45,61,63H,9-10,15,24-30,53-54H2,1-2H3,(H,55,67)(H,56,69)(H,57,66)(H,58,68)(H,59,70)(H,60,71)(H,64,65)(H,72,73)/t38-,39-,40-,41-,42-,43-,45-/s2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay


J Med Chem 59: 4740-52 (2016)


BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50185135
PNG
(CHEMBL3823484)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C50H64N10O13S3/c1-29(2)43(50(70)71)57-48(68)41-28-75-74-27-40(55-44(64)36(52)25-42(62)63)47(67)54-39(23-30-11-4-3-5-12-30)49(69)58-60(26-33-15-10-14-32-13-6-7-16-35(32)33)76(72,73)59-37(17-8-9-22-51)45(65)53-38(46(66)56-41)24-31-18-20-34(61)21-19-31/h3-7,10-16,18-21,29,36-41,43,59,61H,8-9,17,22-28,51-52H2,1-2H3,(H,53,65)(H,54,67)(H,55,64)(H,56,66)(H,57,68)(H,58,69)(H,62,63)(H,70,71)/t36-,37-,38-,39-,40-,41-,43-/s2
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay


J Med Chem 59: 4740-52 (2016)


BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair
Urotensin II receptor


(Homo sapiens (Human))
BDBM50185136
PNG
(CHEMBL3823122)
Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccc3ccccc3c2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r|
Show InChI InChI=1/C50H64N10O13S3/c1-29(2)43(50(70)71)57-48(68)41-28-75-74-27-40(55-44(64)36(52)25-42(62)63)47(67)54-39(23-30-10-4-3-5-11-30)49(69)58-60(26-32-15-18-33-12-6-7-13-34(33)22-32)76(72,73)59-37(14-8-9-21-51)45(65)53-38(46(66)56-41)24-31-16-19-35(61)20-17-31/h3-7,10-13,15-20,22,29,36-41,43,59,61H,8-9,14,21,23-28,51-52H2,1-2H3,(H,53,65)(H,54,67)(H,55,64)(H,56,66)(H,57,68)(H,58,69)(H,62,63)(H,70,71)/t36-,37-,38-,39-,40-,41-,43-/s2
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Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay


J Med Chem 59: 4740-52 (2016)


BindingDB Entry DOI: 10.7270/Q2SB47Q1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267611
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[4-(phenyloxy)butyl]...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C30H36NO2/c32-30(26-12-4-1-5-13-26,27-14-6-2-7-15-27)29-18-22-31(23-19-29,24-20-29)21-10-11-25-33-28-16-8-3-9-17-28/h1-9,12-17,32H,10-11,18-25H2/q+1
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n/an/a 9.50E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003631
PNG
(CHEMBL523957)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(Br)cc3)(CC1)CC2
Show InChI InChI=1S/C29H33BrNO2.BrH/c30-27-13-11-24(12-14-27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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n/an/a<1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003622
PNG
(CHEMBL524119)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3cccc(Br)c3)(CC1)CC2
Show InChI InChI=1S/C29H33BrNO2.BrH/c30-27-13-7-8-24(22-27)23-33-21-20-31-17-14-28(15-18-31,16-19-31)29(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-13,22,32H,14-21,23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003629
PNG
(CHEMBL489212)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3cccc(F)c3)(CC1)CC2
Show InChI InChI=1S/C29H33FNO2.BrH/c30-27-13-7-8-24(22-27)23-33-21-20-31-17-14-28(15-18-31,16-19-31)29(32,25-9-3-1-4-10-25)26-11-5-2-6-12-26;/h1-13,22,32H,14-21,23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003637
PNG
(CHEMBL523474)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(Cl)cc3)(CC1)CC2
Show InChI InChI=1S/C29H33ClNO2.BrH/c30-27-13-11-24(12-14-27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003635
PNG
(CHEMBL521781)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(F)cc3)(CC1)CC2
Show InChI InChI=1S/C29H33FNO2.BrH/c30-27-13-11-24(12-14-27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-7-3-1-4-8-25)26-9-5-2-6-10-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003626
PNG
(CHEMBL489211)
Show SMILES [Br-].Cc1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C30H36NO2.BrH/c1-25-12-14-26(15-13-25)24-33-23-22-31-19-16-29(17-20-31,18-21-31)30(32,27-8-4-2-5-9-27)28-10-6-3-7-11-28;/h2-15,32H,16-24H2,1H3;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003630
PNG
(CHEMBL523598)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(cc3)C#N)(CC1)CC2
Show InChI InChI=1S/C30H33N2O2.BrH/c31-23-25-11-13-26(14-12-25)24-34-22-21-32-18-15-29(16-19-32,17-20-32)30(33,27-7-3-1-4-8-27)28-9-5-2-6-10-28;/h1-14,33H,15-22,24H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267573
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[3-(phenyloxy)propyl...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(25-11-4-1-5-12-25,26-13-6-2-7-14-26)28-17-21-30(22-18-28,23-19-28)20-10-24-32-27-15-8-3-9-16-27/h1-9,11-16,31H,10,17-24H2/q+1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267614
PNG
(4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)ox...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003641
PNG
(CHEMBL476434)
Show SMILES [Br-].Cc1cccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H36NO2.BrH/c1-25-9-8-10-26(23-25)24-33-22-21-31-18-15-29(16-19-31,17-20-31)30(32,27-11-4-2-5-12-27)28-13-6-3-7-14-28;/h2-14,23,32H,15-22,24H2,1H3;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003628
PNG
(CHEMBL522418)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C28H32NO2.BrH/c30-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)27-16-19-29(20-17-27,21-18-27)22-23-31-26-14-8-3-9-15-26;/h1-15,30H,16-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003633
PNG
(CHEMBL490243)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2
Show InChI InChI=1S/C28H32NO2.BrH/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-16-18-29(23-27,19-17-27)20-21-31-22-24-10-4-1-5-11-24;/h1-15,30H,16-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003636
PNG
(CHEMBL490244)
Show SMILES [Br-].N#CC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)C2
Show InChI InChI=1S/C29H31N2O.BrH/c30-23-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-18-31(24-28,19-17-28)20-21-32-22-25-10-4-1-5-11-25;/h1-15H,16-22,24H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003638
PNG
(CHEMBL519652)
Show SMILES [Br-].COc1cccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)c1
Show InChI InChI=1S/C30H36NO3.BrH/c1-33-28-14-8-9-25(23-28)24-34-22-21-31-18-15-29(16-19-31,17-20-31)30(32,26-10-4-2-5-11-26)27-12-6-3-7-13-27;/h2-14,23,32H,15-22,24H2,1H3;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003639
PNG
(CHEMBL484475)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C30H36NO.BrH/c32-30(27-15-6-2-7-16-27,28-17-8-3-9-18-28)29-19-23-31(24-20-29,25-21-29)22-11-10-14-26-12-4-1-5-13-26;/h1-9,12-13,15-18,32H,10-11,14,19-25H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003623
PNG
(CHEMBL522081)
Show SMILES [Br-].OC(c1ccc(F)cc1)(c1ccc(F)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H32F2NO2.BrH/c30-26-10-6-24(7-11-26)29(33,25-8-12-27(31)13-9-25)28-14-17-32(18-15-28,19-16-28)20-21-34-22-23-4-2-1-3-5-23;/h1-13,33H,14-22H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003625
PNG
(CHEMBL490237)
Show SMILES [Br-].OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3F)(CC1)CC2
Show InChI InChI=1S/C29H33FNO2.BrH/c30-27-14-8-7-9-24(27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-10-3-1-4-11-25)26-12-5-2-6-13-26;/h1-14,32H,15-23H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003632
PNG
(CHEMBL490242)
Show SMILES [Br-].N#CC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C30H33N2O.BrH/c31-25-30(27-12-6-2-7-13-27,28-14-8-3-9-15-28)29-16-19-32(20-17-29,21-18-29)22-23-33-24-26-10-4-1-5-11-26;/h1-15H,16-24H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50003640
PNG
(CHEMBL489625)
Show SMILES [Br-].OC(c1cccc(F)c1)(c1cccc(F)c1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C29H32F2NO2.BrH/c30-26-10-4-8-24(20-26)29(33,25-9-5-11-27(31)21-25)28-12-15-32(16-13-28,17-14-28)18-19-34-22-23-6-2-1-3-7-23;/h1-11,20-21,33H,12-19,22H2;1H/q+1;/p-1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267812
PNG
(4-{Hydroxy[bis(4-methylphenyl)]methyl}-1-{2-[(phen...)
Show SMILES Cc1ccc(cc1)C(O)(c1ccc(C)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO2/c1-25-8-12-28(13-9-25)31(33,29-14-10-26(2)11-15-29)30-16-19-32(20-17-30,21-18-30)22-23-34-24-27-6-4-3-5-7-27/h3-15,33H,16-24H2,1-2H3/q+1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267684
PNG
(4-[Hydroxy(diphenyl)methyl]-1-(2-{[(2-methylphenyl...)
Show SMILES Cc1ccccc1COCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H36NO2/c1-25-10-8-9-11-26(25)24-33-23-22-31-19-16-29(17-20-31,18-21-31)30(32,27-12-4-2-5-13-27)28-14-6-3-7-15-28/h2-15,32H,16-24H2,1H3/q+1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267809
PNG
(4-(Hydroxy{bis[3-(methyloxy)phenyl]}methyl)-1-{2-[...)
Show SMILES COc1cccc(c1)C(O)(c1cccc(OC)c1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO4/c1-34-28-12-6-10-26(22-28)31(33,27-11-7-13-29(23-27)35-2)30-14-17-32(18-15-30,19-16-30)20-21-36-24-25-8-4-3-5-9-25/h3-13,22-23,33H,14-21,24H2,1-2H3/q+1
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GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267765
PNG
(1-(2-{[(2-Bromophenyl)methyl]oxy}ethyl)-4-[hydroxy...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3Br)(CC1)CC2
Show InChI InChI=1S/C29H33BrNO2/c30-27-14-8-7-9-24(27)23-33-22-21-31-18-15-28(16-19-31,17-20-31)29(32,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-14,32H,15-23H2/q+1
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n/an/a 2.20E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267533
PNG
(4-[Hydroxy(diphenyl)methyl]-1-[2-(methyloxy)ethyl]...)
Show SMILES COCC[N+]12CCC(CC1)(CC2)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30NO2/c1-26-19-18-24-15-12-22(13-16-24,14-17-24)23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,25H,12-19H2,1H3/q+1
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n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267811
PNG
(4-(Hydroxy{bis[4-(methyloxy)phenyl]}methyl)-1-{2-[...)
Show SMILES COc1ccc(cc1)C(O)(c1ccc(OC)cc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C31H38NO4/c1-34-28-12-8-26(9-13-28)31(33,27-10-14-29(35-2)15-11-27)30-16-19-32(20-17-30,21-18-30)22-23-36-24-25-6-4-3-5-7-25/h3-15,33H,16-24H2,1-2H3/q+1
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n/an/a 3.60E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267649
PNG
(1-[2-({[4-(1,1-Dimethylethyl)phenyl]methyl}oxy)eth...)
Show SMILES CC(C)(C)c1ccc(COCC[N+]23CCC(CC2)(CC3)C(O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C33H42NO2/c1-31(2,3)28-16-14-27(15-17-28)26-36-25-24-34-21-18-32(19-22-34,20-23-34)33(35,29-10-6-4-7-11-29)30-12-8-5-9-13-30/h4-17,35H,18-26H2,1-3H3/q+1
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n/an/a 3.90E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50267472
PNG
(4-[Hydroxy(diphenyl)methyl]-1-(2-phenylethyl)-1-az...)
Show SMILES OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCc3ccccc3)(CC1)CC2
Show InChI InChI=1S/C28H32NO/c30-28(25-12-6-2-7-13-25,26-14-8-3-9-15-26)27-17-21-29(22-18-27,23-19-27)20-16-24-10-4-1-5-11-24/h1-15,30H,16-23H2/q+1
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n/an/a 8.70E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


J Med Chem 52: 2493-505 (2009)


Article DOI: 10.1021/jm801601v
BindingDB Entry DOI: 10.7270/Q2H131X8
More data for this
Ligand-Target Pair
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