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Compile Data Set for Download or QSAR

Found 105 hits Enz. Inhib. hit(s) with all data for entry = 50044634   
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 M5


(Homo sapiens (Human))
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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1.5n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic acetylcholine receptor subtype 5 expressed in CHO cell membranes by scintillation counting method


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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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
Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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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
Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 5.40E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 610n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(RAT)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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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
Activity at rat muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 3.10E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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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
Activity at rat muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at rat muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023230
PNG
(CHEMBL1602658)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,19H,2,10-15,17H2,1H3
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50023230
PNG
(CHEMBL1602658)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,19H,2,10-15,17H2,1H3
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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
Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50023230
PNG
(CHEMBL1602658)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,19H,2,10-15,17H2,1H3
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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
Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50023230
PNG
(CHEMBL1602658)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,19H,2,10-15,17H2,1H3
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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
Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50023230
PNG
(CHEMBL1602658)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,19H,2,10-15,17H2,1H3
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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
Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023231
PNG
(CHEMBL3329715)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-13-15-23(16-14-19)27(25,26)20-11-7-4-8-12-20/h3-12,19H,2,13-17H2,1H3
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n/an/an/an/a 6.17E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023232
PNG
(CHEMBL3329716)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C22H28N2O4S/c1-3-23(17-18-7-5-4-6-8-18)22(25)19-13-15-24(16-14-19)29(26,27)21-11-9-20(28-2)10-12-21/h4-12,19H,3,13-17H2,1-2H3
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n/an/an/an/a 3.31E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023233
PNG
(CHEMBL3329717)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc(OC)c1
Show InChI InChI=1S/C22H28N2O4S/c1-3-23(17-18-8-5-4-6-9-18)22(25)19-12-14-24(15-13-19)29(26,27)21-11-7-10-20(16-21)28-2/h4-11,16,19H,3,12-15,17H2,1-2H3
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n/an/an/an/a 3.09E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023234
PNG
(CHEMBL3329719)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C23H30N2O5S/c1-4-24(17-18-8-6-5-7-9-18)23(26)19-12-14-25(15-13-19)31(27,28)20-10-11-21(29-2)22(16-20)30-3/h5-11,16,19H,4,12-15,17H2,1-3H3
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023235
PNG
(CHEMBL3329720)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
Show InChI InChI=1S/C23H28N2O5S/c1-2-24(17-18-7-4-3-5-8-18)23(26)19-11-13-25(14-12-19)31(27,28)21-10-6-9-20-22(21)30-16-15-29-20/h3-10,19H,2,11-17H2,1H3
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023236
PNG
(CHEMBL3329722)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(C)s1
Show InChI InChI=1S/C20H26N2O3S2/c1-3-21(15-17-7-5-4-6-8-17)20(23)18-11-13-22(14-12-18)27(24,25)19-10-9-16(2)26-19/h4-10,18H,3,11-15H2,1-2H3
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023237
PNG
(CHEMBL3329728)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cccnc2c1
Show InChI InChI=1S/C24H27N3O3S/c1-2-26(18-19-7-4-3-5-8-19)24(28)21-12-15-27(16-13-21)31(29,30)22-11-10-20-9-6-14-25-23(20)17-22/h3-11,14,17,21H,2,12-13,15-16,18H2,1H3
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023238
PNG
(CHEMBL3329729)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1
Show InChI InChI=1S/C23H26N2O4S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-13-25(14-11-19)30(27,28)21-8-9-22-20(16-21)12-15-29-22/h3-9,12,15-16,19H,2,10-11,13-14,17H2,1H3
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n/an/an/an/a 2.34E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023239
PNG
(CHEMBL3329730)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H26N4O3S/c1-2-25(16-17-6-4-3-5-7-17)22(27)18-10-12-26(13-11-18)30(28,29)20-8-9-21-19(14-20)15-23-24-21/h3-9,14-15,18H,2,10-13,16H2,1H3,(H,23,24)
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n/an/an/an/a 1.55E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023240
PNG
(CHEMBL3329731)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H26N4O3S/c1-2-25(16-17-6-4-3-5-7-17)22(27)18-10-12-26(13-11-18)30(28,29)20-9-8-19-15-23-24-21(19)14-20/h3-9,14-15,18H,2,10-13,16H2,1H3,(H,23,24)
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023241
PNG
(CHEMBL3329732)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2nsnc2c1
Show InChI InChI=1S/C21H24N4O3S2/c1-2-24(15-16-6-4-3-5-7-16)21(26)17-10-12-25(13-11-17)30(27,28)18-8-9-19-20(14-18)23-29-22-19/h3-9,14,17H,2,10-13,15H2,1H3
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n/an/an/an/a 2.95E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023242
PNG
(CHEMBL3329734)
Show SMILES CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H26N2O5S/c1-2-23(15-17-6-4-3-5-7-17)22(25)18-10-12-24(13-11-18)30(26,27)19-8-9-20-21(14-19)29-16-28-20/h3-9,14,18H,2,10-13,15-16H2,1H3
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n/an/an/an/a 7.41E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023243
PNG
(CHEMBL3329736)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H30N2O4S/c1-4-25(18(2)19-8-6-5-7-9-19)23(26)20-14-16-24(17-15-20)30(27,28)22-12-10-21(29-3)11-13-22/h5-13,18,20H,4,14-17H2,1-3H3/t18-/m1/s1
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n/an/an/an/a 977n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023244
PNG
(CHEMBL3329737)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2occc2c1 |r|
Show InChI InChI=1S/C24H28N2O4S/c1-3-26(18(2)19-7-5-4-6-8-19)24(27)20-11-14-25(15-12-20)31(28,29)22-9-10-23-21(17-22)13-16-30-23/h4-10,13,16-18,20H,3,11-12,14-15H2,1-2H3/t18-/m1/s1
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n/an/an/an/a 933n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023245
PNG
(CHEMBL3329738)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1 |r|
Show InChI InChI=1S/C24H30N2O4S/c1-3-26(18(2)19-7-5-4-6-8-19)24(27)20-11-14-25(15-12-20)31(28,29)22-9-10-23-21(17-22)13-16-30-23/h4-10,17-18,20H,3,11-16H2,1-2H3/t18-/m1/s1
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n/an/an/an/a 1.12E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023246
PNG
(CHEMBL3329739)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1 |r|
Show InChI InChI=1S/C25H32N2O3S/c1-3-27(19(2)20-8-5-4-6-9-20)25(28)22-14-16-26(17-15-22)31(29,30)24-13-12-21-10-7-11-23(21)18-24/h4-6,8-9,12-13,18-19,22H,3,7,10-11,14-17H2,1-2H3/t19-/m1/s1
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n/an/an/an/a 724n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023247
PNG
(CHEMBL3329740)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1 |r|
Show InChI InChI=1S/C23H28N4O3S/c1-3-27(17(2)18-7-5-4-6-8-18)23(28)19-11-13-26(14-12-19)31(29,30)21-10-9-20-16-24-25-22(20)15-21/h4-10,15-17,19H,3,11-14H2,1-2H3,(H,24,25)/t17-/m1/s1
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n/an/an/an/a 759n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023248
PNG
(CHEMBL3329741)
Show SMILES CCN([C@H](C)c1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1 |r|
Show InChI InChI=1S/C23H28N4O3S/c1-3-27(17(2)18-7-5-4-6-8-18)23(28)19-11-13-26(14-12-19)31(29,30)21-9-10-22-20(15-21)16-24-25-22/h4-10,15-17,19H,3,11-14H2,1-2H3,(H,24,25)/t17-/m1/s1
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n/an/an/an/a 741n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023249
PNG
(CHEMBL3329742)
Show SMILES CCN(Cc1ccc(F)cc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25FN4O3S/c1-2-26(15-16-3-6-19(23)7-4-16)22(28)17-9-11-27(12-10-17)31(29,30)20-8-5-18-14-24-25-21(18)13-20/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,24,25)
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023250
PNG
(CHEMBL3329743)
Show SMILES CCN(Cc1cccc(F)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25FN4O3S/c1-2-26(15-16-4-3-5-19(23)12-16)22(28)17-8-10-27(11-9-17)31(29,30)20-7-6-18-14-24-25-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,24,25)
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n/an/an/an/a 1.51E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023251
PNG
(CHEMBL3329744)
Show SMILES CCN(Cc1ccccc1F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25FN4O3S/c1-2-26(15-18-5-3-4-6-20(18)23)22(28)16-9-11-27(12-10-16)31(29,30)19-8-7-17-14-24-25-21(17)13-19/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
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n/an/an/an/a 2.14E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023252
PNG
(CHEMBL3329745)
Show SMILES CCN(Cc1cccc(Cl)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-16-4-3-5-19(23)12-16)22(28)17-8-10-27(11-9-17)31(29,30)20-7-6-18-14-24-25-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,24,25)
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n/an/an/an/a 1.62E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023253
PNG
(CHEMBL3329746)
Show SMILES CCN(Cc1cccc(OC)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H28N4O4S/c1-3-26(16-17-5-4-6-20(13-17)31-2)23(28)18-9-11-27(12-10-18)32(29,30)21-8-7-19-15-24-25-22(19)14-21/h4-8,13-15,18H,3,9-12,16H2,1-2H3,(H,24,25)
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n/an/an/an/a 2.63E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023254
PNG
(CHEMBL3329747)
Show SMILES CCN(Cc1cccc(C)c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H28N4O3S/c1-3-26(16-18-6-4-5-17(2)13-18)23(28)19-9-11-27(12-10-19)31(29,30)21-8-7-20-15-24-25-22(20)14-21/h4-8,13-15,19H,3,9-12,16H2,1-2H3,(H,24,25)
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n/an/an/an/a 871n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023255
PNG
(CHEMBL3329748)
Show SMILES CCN(Cc1ccccc1C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H28N4O3S/c1-3-26(16-20-7-5-4-6-17(20)2)23(28)18-10-12-27(13-11-18)31(29,30)21-9-8-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
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n/an/an/an/a 871n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023256
PNG
(CHEMBL3329749)
Show SMILES CCN(Cc1ccccc1OC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H28N4O4S/c1-3-26(16-19-6-4-5-7-22(19)31-2)23(28)17-10-12-27(13-11-17)32(29,30)20-9-8-18-15-24-25-21(18)14-20/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,24,25)
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n/an/an/an/a 759n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023257
PNG
(CHEMBL3329750)
Show SMILES CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-18-5-3-4-6-20(18)23)22(28)16-9-11-27(12-10-16)31(29,30)19-8-7-17-14-24-25-21(17)13-19/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
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n/an/an/an/a 646n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023258
PNG
(CHEMBL3329751)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-18-5-3-4-6-20(18)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-8-7-17-14-27-28-21(17)13-19/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 479n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023259
PNG
(CHEMBL3329752)
Show SMILES CCN(Cc1cccc(c1)C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-16-4-3-5-19(12-16)23(24,25)26)22(31)17-8-10-30(11-9-17)34(32,33)20-7-6-18-14-27-28-21(18)13-20/h3-7,12-14,17H,2,8-11,15H2,1H3,(H,27,28)
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n/an/an/an/a 5.50E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023260
PNG
(CHEMBL3329754)
Show SMILES CCN(Cc1ccccc1Cl)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C22H25ClN4O3S/c1-2-26(15-17-5-3-4-6-20(17)23)22(28)16-9-11-27(12-10-16)31(29,30)19-7-8-21-18(13-19)14-24-25-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,24,25)
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n/an/an/an/a 347n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 195n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023261
PNG
(CHEMBL3329756)
Show SMILES CCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C24H27F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h3-8,14-15,17H,2,9-13,16H2,1H3,(H,28,29)
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n/an/an/an/a 155n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023262
PNG
(CHEMBL3329757)
Show SMILES FC(F)(F)c1ccccc1CN(CC=C)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C24H25F3N4O3S/c1-2-11-30(16-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-12-31(13-10-17)35(33,34)20-7-8-22-19(14-20)15-28-29-22/h2-8,14-15,17H,1,9-13,16H2,(H,28,29)
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n/an/an/an/a 1.82E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023263
PNG
(CHEMBL3329758)
Show SMILES CC(C)N(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C24H27F3N4O3S/c1-16(2)31(15-18-5-3-4-6-21(18)24(25,26)27)23(32)17-9-11-30(12-10-17)35(33,34)20-7-8-22-19(13-20)14-28-29-22/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H,28,29)
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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
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50023264
PNG
(CHEMBL3329760)
Show SMILES FC(F)(F)c1ccccc1CN(C1CCC1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)22-7-2-1-4-18(22)16-32(20-5-3-6-20)24(33)17-10-12-31(13-11-17)36(34,35)21-8-9-23-19(14-21)15-29-30-23/h1-2,4,7-9,14-15,17,20H,3,5-6,10-13,16H2,(H,29,30)
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n/an/an/an/a 1.82E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)


Article DOI: 10.1021/jm500995y
BindingDB Entry DOI: 10.7270/Q2ST7RFM
More data for this
Ligand-Target Pair
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