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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'sevel' and Initial = 'c'   
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)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.40n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.40n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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600n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50424114
PNG
(CHEMBL2315675)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)
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1.35E+3n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50424114
PNG
(CHEMBL2315675)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)
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1.35E+3n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 17.8n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395965
PNG
(CHEMBL2164910)
Show SMILES CN1CCN(CC1)C(=O)C(F)(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
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n/an/a 29n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50396000
PNG
(CHEMBL2164906)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3/t19-/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395973
PNG
(CHEMBL2164895)
Show SMILES CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-23-14-9-15-24(17-16-23)22(25)21(20-12-7-4-8-13-20)18-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
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n/an/a 37.1n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395973
PNG
(CHEMBL2164895)
Show SMILES CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-2-23-14-9-15-24(17-16-23)22(25)21(20-12-7-4-8-13-20)18-19-10-5-3-6-11-19/h3-8,10-13,21H,2,9,14-18H2,1H3
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395983
PNG
(CHEMBL2164911)
Show SMILES CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a 43.6n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395983
PNG
(CHEMBL2164911)
Show SMILES CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H24N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
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n/an/a 44n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M5 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395978
PNG
(CHEMBL2164918)
Show SMILES CCN1CCN(CC1(C)C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-4-25-16-15-24(18-23(25,2)3)22(26)21(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,21H,4,15-18H2,1-3H3
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n/an/a 89.1n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395978
PNG
(CHEMBL2164918)
Show SMILES CCN1CCN(CC1(C)C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-4-25-16-15-24(18-23(25,2)3)22(26)21(20-13-9-6-10-14-20)17-19-11-7-5-8-12-19/h5-14,21H,4,15-18H2,1-3H3
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n/an/a 90n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395974
PNG
(CHEMBL2164894)
Show SMILES CN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22-13-8-14-23(16-15-22)21(24)20(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3
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n/an/a 95.5n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395980
PNG
(CHEMBL2164916)
Show SMILES CC1CN(CCN1C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-17-16-23(14-13-22(17)2)21(24)20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395974
PNG
(CHEMBL2164894)
Show SMILES CN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-22-13-8-14-23(16-15-22)21(24)20(19-11-6-3-7-12-19)17-18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395972
PNG
(CHEMBL2164896)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395972
PNG
(CHEMBL2164896)
Show SMILES CC(C)N1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-19(2)24-14-9-15-25(17-16-24)23(26)22(21-12-7-4-8-13-21)18-20-10-5-3-6-11-20/h3-8,10-13,19,22H,9,14-18H2,1-2H3
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n/an/a 105n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395980
PNG
(CHEMBL2164916)
Show SMILES CC1CN(CCN1C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26N2O/c1-17-16-23(14-13-22(17)2)21(24)20(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-12,17,20H,13-16H2,1-2H3
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n/an/a 105n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387763
PNG
(CHEMBL2057775)
Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387762
PNG
(CHEMBL2057513)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387763
PNG
(CHEMBL2057775)
Show SMILES Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C23H25N5O3S/c1-17-13-20(5-8-25-17)26-9-11-27(12-10-26)23(29)19-15-28(16-19)32(30,31)22-4-2-3-18-14-24-7-6-21(18)22/h2-8,13-14,19H,9-12,15-16H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387762
PNG
(CHEMBL2057513)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-4-7-23-8-5-19)18-15-27(16-18)31(29,30)21-3-1-2-17-14-24-9-6-20(17)21/h1-9,14,18H,10-13,15-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387764
PNG
(CHEMBL2057512)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387764
PNG
(CHEMBL2057512)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H24N4O4S/c26-21(24-10-8-23(9-11-24)18-3-6-22-7-4-18)17-14-25(15-17)30(27,28)19-1-2-20-16(13-19)5-12-29-20/h1-4,6-7,13,17H,5,8-12,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395975
PNG
(CHEMBL2164888)
Show SMILES CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395975
PNG
(CHEMBL2164888)
Show SMILES CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H23NO2/c1-20(2)13-14-22-19(21)18(17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50395966
PNG
(CHEMBL2164905)
Show SMILES CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FN2O/c1-22-12-14-23(15-13-22)19(24)20(21,18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11H,12-16H2,1H3/t20-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor by calcium mobilization assay


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395999
PNG
(CHEMBL1426275)
Show SMILES CN1CCN(CC1)C(=O)C(=C/c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C20H22N2O/c1-21-12-14-22(15-13-21)20(23)19(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3/b19-16-
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387765
PNG
(CHEMBL2057772)
Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-12-18(4-7-25-21)26-8-10-27(11-9-26)22(29)17-14-28(15-17)32(30,31)20-3-1-2-16-13-24-6-5-19(16)20/h1-7,12-13,17H,8-11,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387765
PNG
(CHEMBL2057772)
Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C22H22ClN5O3S/c23-21-12-18(4-7-25-21)26-8-10-27(11-9-26)22(29)17-14-28(15-17)32(30,31)20-3-1-2-16-13-24-6-5-19(16)20/h1-7,12-13,17H,8-11,14-15H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387760
PNG
(CHEMBL2057776)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387760
PNG
(CHEMBL2057776)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1
Show InChI InChI=1S/C24H25N5O3S/c30-24(28-13-18-11-27(12-19(18)14-28)21-4-7-25-8-5-21)20-15-29(16-20)33(31,32)23-3-1-2-17-10-26-9-6-22(17)23/h1-10,18-20H,11-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395970
PNG
(CHEMBL2164900)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O2/c1-20-12-14-21(15-13-20)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395970
PNG
(CHEMBL2164900)
Show SMILES CN1CCN(CC1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H22N2O2/c1-20-12-14-21(15-13-20)19(22)18(16-8-4-2-5-9-16)23-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395979
PNG
(CHEMBL2164917)
Show SMILES CCN1CCN(CC1C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-3-23-14-15-24(17-18(23)2)22(25)21(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395979
PNG
(CHEMBL2164917)
Show SMILES CCN1CCN(CC1C)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-3-23-14-15-24(17-18(23)2)22(25)21(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387766
PNG
(CHEMBL2057508)
Show SMILES Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H22ClN5O3S/c1-14-10-17(11-22-18(14)20)29(27,28)25-12-15(13-25)19(26)24-8-6-23(7-9-24)16-2-4-21-5-3-16/h2-5,10-11,15H,6-9,12-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387766
PNG
(CHEMBL2057508)
Show SMILES Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H22ClN5O3S/c1-14-10-17(11-22-18(14)20)29(27,28)25-12-15(13-25)19(26)24-8-6-23(7-9-24)16-2-4-21-5-3-16/h2-5,10-11,15H,6-9,12-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387767
PNG
(CHEMBL2057506)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2
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n/an/a 370n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387767
PNG
(CHEMBL2057506)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H21N5O3S/c24-18(22-10-8-21(9-11-22)16-3-6-19-7-4-16)15-13-23(14-15)27(25,26)17-2-1-5-20-12-17/h1-7,12,15H,8-11,13-14H2
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n/an/a 372n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362394
PNG
(CHEMBL1940125)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2
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n/an/a 400n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50387803
PNG
(CHEMBL2058898)
Show SMILES O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H20N6O4S/c26-19(24-10-8-23(9-11-24)15-4-6-20-7-5-15)14-12-25(13-14)30(27,28)17-3-1-2-16-18(17)22-29-21-16/h1-7,14H,8-13H2
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n/an/a 430n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 5035-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.018
BindingDB Entry DOI: 10.7270/Q2KW5H39
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395981
PNG
(CHEMBL2164913)
Show SMILES CC(C)N1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-18(2)23-13-15-24(16-14-23)22(25)21(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3
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n/an/a 437n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50395981
PNG
(CHEMBL2164913)
Show SMILES CC(C)N1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-18(2)23-13-15-24(16-14-23)22(25)21(20-11-7-4-8-12-20)17-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3
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n/an/a 440n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor


Bioorg Med Chem Lett 22: 6923-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.011
BindingDB Entry DOI: 10.7270/Q2348MH4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50424120
PNG
(CHEMBL2315677)
Show SMILES CCOC(=O)N1CCC(CC1)N[C@H]1CCCN(C1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-17(11-14-22)21-18-9-6-12-23(15-18)19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18,21H,2,6,9-15H2,1H3/t18-/m0/s1
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n/an/a 478n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50424120
PNG
(CHEMBL2315677)
Show SMILES CCOC(=O)N1CCC(CC1)N[C@H]1CCCN(C1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C20H29N3O3/c1-2-26-20(25)22-13-10-17(11-14-22)21-18-9-6-12-23(15-18)19(24)16-7-4-3-5-8-16/h3-5,7-8,17-18,21H,2,6,9-15H2,1H3/t18-/m0/s1
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n/an/a 478n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of Ach-induced calcium response


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
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