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Compile Data Set for Download or QSAR

Found 429 hits with Last Name = 'sundquist' and Initial = 's'   
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 M2


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M2 by measuring displacement of [3H]-QNB from guinea pig heart


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0450n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0510n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.0510n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.200n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig by (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB displacement.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Cavia porcellus)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.240n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]-QNB from guinea pig parotid gland


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|
Show InChI InChI=1S/C21H23NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,19,24H,11-15H2
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0.240n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471463
PNG
(CHEMBL331497)
Show SMILES Oc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(16.5,.02,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)|
Show InChI InChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2
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0.270n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/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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0.320n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471463
PNG
(CHEMBL331497)
Show SMILES Oc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(16.5,.02,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)|
Show InChI InChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2
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0.610n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471463
PNG
(CHEMBL331497)
Show SMILES Oc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(16.5,.02,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)|
Show InChI InChI=1S/C17H17NO2/c19-14-3-1-2-13(10-14)15-6-9-20-17(15)16-11-18-7-4-12(16)5-8-18/h1-3,6,9-12,19H,4-5,7-8H2
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0.720n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471448
PNG
(CHEMBL123510)
Show SMILES Oc1ccc(cc1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(13.57,-.96,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;16.18,-1.49,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;14,-8.89,;14,-7.35,;15.34,-6.58,;14.6,-7.9,;16.08,-8.32,)|
Show InChI InChI=1S/C17H17NO2/c19-14-3-1-12(2-4-14)15-7-10-20-17(15)16-11-18-8-5-13(16)6-9-18/h1-4,7,10-11,13,19H,5-6,8-9H2
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0.790n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471478
PNG
(CHEMBL339719)
Show SMILES COC(=O)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(15.66,2.56,;15.35,1.05,;16.5,.02,;17.95,.5,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;14,-8.89,;14,-7.35,;15.34,-6.58,;14.6,-7.9,;16.08,-8.32,)|
Show InChI InChI=1S/C19H19NO3/c1-22-19(21)15-4-2-3-14(11-15)16-7-10-23-18(16)17-12-20-8-5-13(17)6-9-20/h2-4,7,10-13H,5-6,8-9H2,1H3
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0.800n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/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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0.850n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/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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0.890n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471478
PNG
(CHEMBL339719)
Show SMILES COC(=O)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(15.66,2.56,;15.35,1.05,;16.5,.02,;17.95,.5,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;14,-8.89,;14,-7.35,;15.34,-6.58,;14.6,-7.9,;16.08,-8.32,)|
Show InChI InChI=1S/C19H19NO3/c1-22-19(21)15-4-2-3-14(11-15)16-7-10-23-18(16)17-12-20-8-5-13(17)6-9-20/h2-4,7,10-13H,5-6,8-9H2,1H3
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0.950n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471448
PNG
(CHEMBL123510)
Show SMILES Oc1ccc(cc1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(13.57,-.96,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;16.18,-1.49,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;14,-8.89,;14,-7.35,;15.34,-6.58,;14.6,-7.9,;16.08,-8.32,)|
Show InChI InChI=1S/C17H17NO2/c19-14-3-1-12(2-4-14)15-7-10-20-17(15)16-11-18-8-5-13(16)6-9-18/h1-4,7,10-11,13,19H,5-6,8-9H2
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1.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/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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1.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Affinity for Muscarinic acetylcholine receptors in urinary bladder from Guinea Pig by (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB displacement.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471449
PNG
(CHEMBL333670)
Show SMILES Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H16BrNO/c18-16-10-14(12-4-2-1-3-5-12)17(20-16)15-11-19-8-6-13(15)7-9-19/h1-5,10-11,13H,6-9H2
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1.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471459
PNG
(CHEMBL338801)
Show SMILES CCc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:15,(12.42,.79,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C19H21NO/c1-2-14-4-3-5-16(12-14)17-8-11-21-19(17)18-13-20-9-6-15(18)7-10-20/h3-5,8,11-13,15H,2,6-7,9-10H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471459
PNG
(CHEMBL338801)
Show SMILES CCc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:15,(12.42,.79,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C19H21NO/c1-2-14-4-3-5-16(12-14)17-8-11-21-19(17)18-13-20-9-6-15(18)7-10-20/h3-5,8,11-13,15H,2,6-7,9-10H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471478
PNG
(CHEMBL339719)
Show SMILES COC(=O)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(15.66,2.56,;15.35,1.05,;16.5,.02,;17.95,.5,;16.18,-1.49,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;14,-8.89,;14,-7.35,;15.34,-6.58,;14.6,-7.9,;16.08,-8.32,)|
Show InChI InChI=1S/C19H19NO3/c1-22-19(21)15-4-2-3-14(11-15)16-7-10-23-18(16)17-12-20-8-5-13(17)6-9-20/h2-4,7,10-13H,5-6,8-9H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471466
PNG
(CHEMBL124017)
Show SMILES COC(=O)c1ccc(cc1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(10.95,-.43,;12.11,-1.44,;13.57,-.96,;13.87,.57,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;16.18,-1.49,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)|
Show InChI InChI=1S/C19H19NO3/c1-22-19(21)15-4-2-13(3-5-15)16-8-11-23-18(16)17-12-20-9-6-14(17)7-10-20/h2-5,8,11-12,14H,6-7,9-10H2,1H3
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2.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471465
PNG
(CHEMBL339702)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:20,(10.12,2.84,;9.8,1.35,;10.95,.31,;12.43,.8,;12.74,2.33,;11.58,3.34,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,)|
Show InChI InChI=1S/C21H24N2O2/c1-2-17(14-18(3-1)23-9-12-24-13-10-23)19-6-11-25-21(19)20-15-22-7-4-16(20)5-8-22/h1-3,6,11,14-16H,4-5,7-10,12-13H2
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2.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471449
PNG
(CHEMBL333670)
Show SMILES Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H16BrNO/c18-16-10-14(12-4-2-1-3-5-12)17(20-16)15-11-19-8-6-13(15)7-9-19/h1-5,10-11,13H,6-9H2
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2.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471462
PNG
(CHEMBL128035)
Show SMILES Cc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,;11.46,-3.73,;11.79,-2.21,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,)|
Show InChI InChI=1S/C18H19NO/c1-13-11-16(14-5-3-2-4-6-14)18(20-13)17-12-19-9-7-15(17)8-10-19/h2-6,11-12,15H,7-10H2,1H3
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2.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471470
PNG
(CHEMBL122160)
Show SMILES C1CN2CCC1C(=C2)c1occc1-c1ccccc1 |c:7,(8.45,-7.04,;8.45,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;13.87,-6.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H17NO/c1-2-4-13(5-3-1)15-8-11-19-17(15)16-12-18-9-6-14(16)7-10-18/h1-5,8,11-12,14H,6-7,9-10H2
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2.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471462
PNG
(CHEMBL128035)
Show SMILES Cc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,;11.46,-3.73,;11.79,-2.21,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,)|
Show InChI InChI=1S/C18H19NO/c1-13-11-16(14-5-3-2-4-6-14)18(20-13)17-12-19-9-7-15(17)8-10-19/h2-6,11-12,15H,7-10H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471466
PNG
(CHEMBL124017)
Show SMILES COC(=O)c1ccc(cc1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(10.95,-.43,;12.11,-1.44,;13.57,-.96,;13.87,.57,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;16.18,-1.49,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)|
Show InChI InChI=1S/C19H19NO3/c1-22-19(21)15-4-2-13(3-5-15)16-8-11-23-18(16)17-12-20-9-6-14(17)7-10-20/h2-5,8,11-12,14H,6-7,9-10H2,1H3
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3.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471448
PNG
(CHEMBL123510)
Show SMILES Oc1ccc(cc1)-c1ccoc1C1=CN2CCC1CC2 |t:14,(13.57,-.96,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;16.18,-1.49,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;14,-8.89,;14,-7.35,;15.34,-6.58,;14.6,-7.9,;16.08,-8.32,)|
Show InChI InChI=1S/C17H17NO2/c19-14-3-1-12(2-4-14)15-7-10-20-17(15)16-11-18-8-5-13(16)6-9-18/h1-4,7,10-11,13,19H,5-6,8-9H2
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3.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471466
PNG
(CHEMBL124017)
Show SMILES COC(=O)c1ccc(cc1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(10.95,-.43,;12.11,-1.44,;13.57,-.96,;13.87,.57,;14.73,-1.97,;14.42,-3.5,;15.56,-4.5,;17.01,-4.02,;17.34,-2.51,;16.18,-1.49,;18.17,-5.05,;19.65,-4.72,;20.44,-6.06,;19.42,-7.2,;18.01,-6.58,;16.66,-7.35,;16.66,-8.89,;15.34,-9.66,;16.08,-8.32,;14.6,-7.9,;15.34,-6.58,;14,-7.35,;14,-8.89,)|
Show InChI InChI=1S/C19H19NO3/c1-22-19(21)15-4-2-13(3-5-15)16-8-11-23-18(16)17-12-20-9-6-14(17)7-10-20/h2-5,8,11-12,14H,6-7,9-10H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471462
PNG
(CHEMBL128035)
Show SMILES Cc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,;11.46,-3.73,;11.79,-2.21,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,)|
Show InChI InChI=1S/C18H19NO/c1-13-11-16(14-5-3-2-4-6-14)18(20-13)17-12-19-9-7-15(17)8-10-19/h2-6,11-12,15H,7-10H2,1H3
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4.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471465
PNG
(CHEMBL339702)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:20,(10.12,2.84,;9.8,1.35,;10.95,.31,;12.43,.8,;12.74,2.33,;11.58,3.34,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,)|
Show InChI InChI=1S/C21H24N2O2/c1-2-17(14-18(3-1)23-9-12-24-13-10-23)19-6-11-25-21(19)20-15-22-7-4-16(20)5-8-22/h1-3,6,11,14-16H,4-5,7-10,12-13H2
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5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471475
PNG
(CHEMBL333937)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(11.23,1.69,;10.95,.31,;12.36,1.06,;9.92,1.56,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,)|
Show InChI InChI=1S/C18H16F3NO/c19-18(20,21)14-3-1-2-13(10-14)15-6-9-23-17(15)16-11-22-7-4-12(16)5-8-22/h1-3,6,9-12H,4-5,7-8H2
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5.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50470891
PNG
(CHEMBL324913)
Show SMILES Fc1ccc2oc(cc2c1)C1=CN2CCC1CC2 |t:12,(10.77,-6.24,;9.74,-7.37,;10.21,-8.86,;9.16,-10,;7.65,-9.67,;6.41,-10.57,;5.17,-9.65,;5.64,-8.18,;7.16,-8.2,;8.21,-7.04,;3.83,-10.42,;3.83,-11.96,;2.5,-12.72,;1.19,-11.96,;1.19,-10.42,;2.5,-9.64,;2.07,-10.83,;2.8,-11.58,)|
Show InChI InChI=1S/C15H14FNO/c16-12-1-2-14-11(7-12)8-15(18-14)13-9-17-5-3-10(13)4-6-17/h1-2,7-10H,3-6H2
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6.30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Receptor binding affinity against Muscarinic acetylcholine receptor from guinea pig cerebral cortex was determined using [3H]- QNB as radioligand


J Med Chem 39: 3269-77 (1996)


Article DOI: 10.1021/jm950455c
BindingDB Entry DOI: 10.7270/Q23F4SC0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471480
PNG
(CHEMBL433672)
Show SMILES Brc1ccc(o1)C1=CN2CCC1CC2 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C11H12BrNO/c12-11-2-1-10(14-11)9-7-13-5-3-8(9)4-6-13/h1-2,7-8H,3-6H2
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6.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471470
PNG
(CHEMBL122160)
Show SMILES C1CN2CCC1C(=C2)c1occc1-c1ccccc1 |c:7,(8.45,-7.04,;8.45,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;13.87,-6.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H17NO/c1-2-4-13(5-3-1)15-8-11-19-17(15)16-12-18-9-6-14(16)7-10-18/h1-5,8,11-12,14H,6-7,9-10H2
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6.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471459
PNG
(CHEMBL338801)
Show SMILES CCc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:15,(12.42,.79,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C19H21NO/c1-2-14-4-3-5-16(12-14)17-8-11-21-19(17)18-13-20-9-6-15(18)7-10-20/h3-5,8,11-13,15H,2,6-7,9-10H2,1H3
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6.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471453
PNG
(CHEMBL121974)
Show SMILES CCc1ccc(o1)C1=CN2CCC1CC2 |t:8,(17.07,-7.33,;16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C13H17NO/c1-2-11-3-4-13(15-11)12-9-14-7-5-10(12)6-8-14/h3-4,9-10H,2,5-8H2,1H3
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7.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471449
PNG
(CHEMBL333670)
Show SMILES Brc1cc(c(o1)C1=CN2CCC1CC2)-c1ccccc1 |t:7,(16.43,-5.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;12.46,-6.27,;13.87,-6.91,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H16BrNO/c18-16-10-14(12-4-2-1-3-5-12)17(20-16)15-11-19-8-6-13(15)7-9-19/h1-5,10-11,13H,6-9H2
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7.70n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471473
PNG
(CHEMBL333540)
Show SMILES N#Cc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:15,(11.27,1.83,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C18H16N2O/c19-11-13-2-1-3-15(10-13)16-6-9-21-18(16)17-12-20-7-4-14(17)5-8-20/h1-3,6,9-10,12,14H,4-5,7-8H2
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7.80n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471460
PNG
(CHEMBL333815)
Show SMILES COS(=O)(=O)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:18,(-3.18,2.28,;-3.5,.77,;-2.34,-.24,;-.96,-.93,;-.89,.22,;-2.67,-1.77,;-4.11,-2.25,;-4.43,-3.76,;-3.28,-4.79,;-1.83,-4.3,;-1.51,-2.77,;-.67,-5.31,;.8,-4.98,;1.61,-6.33,;.58,-7.48,;-.84,-6.84,;-2.17,-7.61,;-2.17,-9.15,;-3.5,-9.92,;-2.75,-8.59,;-4.24,-8.19,;-3.5,-6.84,;-4.85,-7.61,;-4.85,-9.15,)|
Show InChI InChI=1S/C18H19NO4S/c1-22-24(20,21)15-4-2-3-14(11-15)16-7-10-23-18(16)17-12-19-8-5-13(17)6-9-19/h2-4,7,10-13H,5-6,8-9H2,1H3
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8.20n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471464
PNG
(CHEMBL124592)
Show SMILES CCCCOc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:18,(14.5,4.3,;14.19,2.79,;12.72,2.31,;12.42,.79,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C21H25NO2/c1-2-3-12-23-18-6-4-5-17(14-18)19-9-13-24-21(19)20-15-22-10-7-16(20)8-11-22/h4-6,9,13-16H,2-3,7-8,10-12H2,1H3
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8.40n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in cerebral cortex from Guinea...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471470
PNG
(CHEMBL122160)
Show SMILES C1CN2CCC1C(=C2)c1occc1-c1ccccc1 |c:7,(8.45,-7.04,;8.45,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;13.87,-6.91,;14.9,-5.75,;14.1,-4.41,;12.62,-4.75,;11.46,-3.73,;10.02,-4.21,;8.87,-3.19,;9.19,-1.68,;10.63,-1.2,;11.79,-2.21,)|
Show InChI InChI=1S/C17H17NO/c1-2-4-13(5-3-1)15-8-11-19-17(15)16-12-18-9-6-14(16)7-10-18/h1-5,8,11-12,14H,6-7,9-10H2
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8.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471464
PNG
(CHEMBL124592)
Show SMILES CCCCOc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:18,(14.5,4.3,;14.19,2.79,;12.72,2.31,;12.42,.79,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C21H25NO2/c1-2-3-12-23-18-6-4-5-17(14-18)19-9-13-24-21(19)20-15-22-10-7-16(20)8-11-22/h4-6,9,13-16H,2-3,7-8,10-12H2,1H3
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9.5n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50036185
PNG
(3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1 |c:7,(3.93,-23.86,;3.93,-25.41,;5.26,-26.18,;6.02,-24.84,;4.53,-24.44,;5.26,-23.08,;6.61,-23.86,;6.61,-25.41,;7.94,-23.09,;9.34,-23.71,;10.37,-22.57,;11.9,-22.57,;12.67,-21.25,;11.9,-19.91,;10.37,-19.91,;9.61,-21.23,;8.1,-21.55,)|
Show InChI InChI=1S/C15H15NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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9.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity for muscarinic acetylcholine receptor M1 by measuring displacement of [3H]-QNB from guinea pig cerebral cortex


J Med Chem 38: 473-87 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50036185
PNG
(3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1 |c:7,(3.93,-23.86,;3.93,-25.41,;5.26,-26.18,;6.02,-24.84,;4.53,-24.44,;5.26,-23.08,;6.61,-23.86,;6.61,-25.41,;7.94,-23.09,;9.34,-23.71,;10.37,-22.57,;11.9,-22.57,;12.67,-21.25,;11.9,-19.91,;10.37,-19.91,;9.61,-21.23,;8.1,-21.55,)|
Show InChI InChI=1S/C15H15NO/c1-2-4-14-12(3-1)9-15(17-14)13-10-16-7-5-11(13)6-8-16/h1-4,9-11H,5-8H2
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9.60n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Receptor binding affinity (Ki) against Muscarinic acetylcholine receptor (cerebral cortex) was determined by competition radioligand -[3H]- QNB bindi...


J Med Chem 39: 3269-77 (1996)


Article DOI: 10.1021/jm950455c
BindingDB Entry DOI: 10.7270/Q23F4SC0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471465
PNG
(CHEMBL339702)
Show SMILES C1CN(CCO1)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:20,(10.12,2.84,;9.8,1.35,;10.95,.31,;12.43,.8,;12.74,2.33,;11.58,3.34,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,)|
Show InChI InChI=1S/C21H24N2O2/c1-2-17(14-18(3-1)23-9-12-24-13-10-23)19-6-11-25-21(19)20-15-22-7-4-16(20)5-8-22/h1-3,6,11,14-16H,4-5,7-10,12-13H2
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10n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the parotid gland from Guin...


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471473
PNG
(CHEMBL333540)
Show SMILES N#Cc1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:15,(11.27,1.83,;10.95,.31,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;10.56,-8.02,;9.06,-7.61,;9.8,-6.27,;8.45,-7.04,;8.45,-8.58,)|
Show InChI InChI=1S/C18H16N2O/c19-11-13-2-1-3-15(10-13)16-6-9-21-18(16)17-12-20-7-4-14(17)5-8-20/h1-3,6,9-10,12,14H,4-5,7-8H2
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11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))
BDBM50471475
PNG
(CHEMBL333937)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccoc1C1=CN2CCC1CC2 |t:17,(11.23,1.69,;10.95,.31,;12.36,1.06,;9.92,1.56,;10.63,-1.2,;9.19,-1.68,;8.87,-3.19,;10.02,-4.21,;11.46,-3.73,;11.79,-2.21,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,;12.46,-6.27,;11.13,-7.04,;11.13,-8.58,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;9.06,-7.61,;10.56,-8.02,)|
Show InChI InChI=1S/C18H16F3NO/c19-18(20,21)14-3-1-2-13(10-14)15-6-9-23-17(15)16-11-22-7-4-12(16)5-8-22/h1-3,6,9-12H,4-5,7-8H2
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11n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Ability of compound to displace (-)-[3H]3-Quinuclidinyl benzilate (-)-[3H]-QNB from Muscarinic acetylcholine receptors in the heart from Guinea Pig.


J Med Chem 40: 3804-19 (1997)


Article DOI: 10.1021/jm970346t
BindingDB Entry DOI: 10.7270/Q2XG9TVC
More data for this
Ligand-Target Pair
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