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Compile Data Set for Download or QSAR

Found 16 hits of ki for monomerid = 50165008   
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


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic receptor M1 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method


J Med Chem 61: 4020-4029 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00041
BindingDB Entry DOI: 10.7270/Q29Z97H3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 825-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.022
BindingDB Entry DOI: 10.7270/Q2BZ66WS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic receptor M5 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method


J Med Chem 61: 4020-4029 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00041
BindingDB Entry DOI: 10.7270/Q29Z97H3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 825-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.022
BindingDB Entry DOI: 10.7270/Q2BZ66WS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic receptor M2 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method


J Med Chem 61: 4020-4029 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00041
BindingDB Entry DOI: 10.7270/Q29Z97H3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 825-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.022
BindingDB Entry DOI: 10.7270/Q2BZ66WS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic receptor M4 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method


J Med Chem 61: 4020-4029 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00041
BindingDB Entry DOI: 10.7270/Q29Z97H3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methyl Scopolamine from human cloned muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 18: 825-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.022
BindingDB Entry DOI: 10.7270/Q2BZ66WS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.20n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M3 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 825-7 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.022
BindingDB Entry DOI: 10.7270/Q2BZ66WS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylscopolamine from human M3 receptor


J Med Chem 54: 6998-7002 (2011)


Article DOI: 10.1021/jm2007535
BindingDB Entry DOI: 10.7270/Q2SJ1M03
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


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


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from muscarinic receptor M3 in Sprague-Dawley rat brain homogenates after 60 mins by liquid scintillation counting method


J Med Chem 61: 4020-4029 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00041
BindingDB Entry DOI: 10.7270/Q29Z97H3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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4n/an/an/an/an/an/an/an/a



UCB Pharma

Curated by ChEMBL


Assay Description
Binding affinity to human muscarinic M2 receptor


Bioorg Med Chem Lett 16: 373-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.079
BindingDB Entry DOI: 10.7270/Q2T72J70
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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6.91n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M2


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50165008
PNG
((+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C
Show InChI InChI=1S/C22H31NO/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24/h6-12,15-17,20,24H,13-14H2,1-5H3/t20-/m1/s1
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7.07n/an/an/an/an/an/an/an/a



Ranbaxy Research Laboratories

Curated by ChEMBL


Assay Description
Affinity for rat Muscarinic acetylcholine receptor M3


Bioorg Med Chem Lett 15: 2093-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.036
BindingDB Entry DOI: 10.7270/Q2DJ5F4X
More data for this
Ligand-Target Pair