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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50034097   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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n/an/an/an/a 200n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356967
PNG
(CHEMBL1916223)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356968
PNG
(CHEMBL1916225)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
Show InChI InChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356970
PNG
(CHEMBL1916227)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50356971
PNG
(CHEMBL1916228)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a 250n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M1 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50356972
PNG
(CHEMBL1916234)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M2 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356968
PNG
(CHEMBL1916225)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
Show InChI InChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356970
PNG
(CHEMBL1916227)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356971
PNG
(CHEMBL1916228)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356974
PNG
(CHEMBL1916229)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C20H27F2N3O3/c1-2-28-20(27)24-10-7-16(8-11-24)25-9-3-4-15(13-25)23-19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,23,26)/t15-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356975
PNG
(CHEMBL1916230)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-19(11-14-23)24-12-4-5-18(15-24)22-20(25)17-8-6-16(2)7-9-17/h6-9,18-19H,3-5,10-15H2,1-2H3,(H,22,25)/t18-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356976
PNG
(CHEMBL1916231)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356977
PNG
(CHEMBL1916232)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccs1 |r|
Show InChI InChI=1S/C18H27N3O3S/c1-2-24-18(23)20-10-7-15(8-11-20)21-9-3-5-14(13-21)19-17(22)16-6-4-12-25-16/h4,6,12,14-15H,2-3,5,7-11,13H2,1H3,(H,19,22)/t14-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356978
PNG
(CHEMBL1916233)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-13-10-18(11-14-23)24-12-4-5-17(15-24)22-20(25)16-6-8-19(27-2)9-7-16/h6-9,17-18H,3-5,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356972
PNG
(CHEMBL1916234)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356968
PNG
(CHEMBL1916225)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
Show InChI InChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356970
PNG
(CHEMBL1916227)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356971
PNG
(CHEMBL1916228)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356974
PNG
(CHEMBL1916229)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C20H27F2N3O3/c1-2-28-20(27)24-10-7-16(8-11-24)25-9-3-4-15(13-25)23-19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,23,26)/t15-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356975
PNG
(CHEMBL1916230)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-19(11-14-23)24-12-4-5-18(15-24)22-20(25)17-8-6-16(2)7-9-17/h6-9,18-19H,3-5,10-15H2,1-2H3,(H,22,25)/t18-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356976
PNG
(CHEMBL1916231)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356977
PNG
(CHEMBL1916232)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccs1 |r|
Show InChI InChI=1S/C18H27N3O3S/c1-2-24-18(23)20-10-7-15(8-11-20)21-9-3-5-14(13-21)19-17(22)16-6-4-12-25-16/h4,6,12,14-15H,2-3,5,7-11,13H2,1H3,(H,19,22)/t14-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356978
PNG
(CHEMBL1916233)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-13-10-18(11-14-23)24-12-4-5-17(15-24)22-20(25)16-6-8-19(27-2)9-7-16/h6-9,17-18H,3-5,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356972
PNG
(CHEMBL1916234)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C20H28ClN3O3/c1-2-27-20(26)23-12-9-16(10-13-23)24-11-5-6-15(14-24)22-19(25)17-7-3-4-8-18(17)21/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3,(H,22,25)/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50356973
PNG
(CHEMBL1916235)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C19H33N3O3/c1-2-25-19(24)21-12-9-17(10-13-21)22-11-5-8-16(14-22)20-18(23)15-6-3-4-7-15/h15-17H,2-14H2,1H3,(H,20,23)/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356966
PNG
(CHEMBL1916224)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-18(11-14-23)24-12-6-8-17(15-24)22-20(25)19-9-5-4-7-16(19)2/h4-5,7,9,17-18H,3,6,8,10-15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356968
PNG
(CHEMBL1916225)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|
Show InChI InChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356969
PNG
(CHEMBL1916226)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356970
PNG
(CHEMBL1916227)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H28FN3O3/c1-2-27-20(26)23-11-8-18(9-12-23)24-10-4-7-17(14-24)22-19(25)15-5-3-6-16(21)13-15/h3,5-6,13,17-18H,2,4,7-12,14H2,1H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356971
PNG
(CHEMBL1916228)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356974
PNG
(CHEMBL1916229)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|
Show InChI InChI=1S/C20H27F2N3O3/c1-2-28-20(27)24-10-7-16(8-11-24)25-9-3-4-15(13-25)23-19(26)14-5-6-17(21)18(22)12-14/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,23,26)/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356975
PNG
(CHEMBL1916230)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C21H31N3O3/c1-3-27-21(26)23-13-10-19(11-14-23)24-12-4-5-18(15-24)22-20(25)17-8-6-16(2)7-9-17/h6-9,18-19H,3-5,10-15H2,1-2H3,(H,22,25)/t18-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50356976
PNG
(CHEMBL1916231)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|
Show InChI InChI=1S/C20H35N3O3/c1-2-26-20(25)22-13-10-18(11-14-22)23-12-6-9-17(15-23)21-19(24)16-7-4-3-5-8-16/h16-18H,2-15H2,1H3,(H,21,24)/t17-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at rat muscarinic M5 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
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