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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50003493   
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


(RAT)
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.158n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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0.501n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(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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2.51n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
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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3.98n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(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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6.31n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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7.94n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471769
PNG
(CHEMBL265521)
Show SMILES CC(CC#C)ON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-4-5-10(2)16-14-11-8-12-6-7-13(9-11)15(12)3/h1,10,12-13H,5-9H2,2-3H3
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100n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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199n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471763
PNG
(CHEMBL109068)
Show SMILES CCC(ON=C1CC2CCC(C1)N2C)C#C |TLB:4:5:12:8.9|
Show InChI InChI=1S/C13H20N2O/c1-4-13(5-2)16-14-10-8-11-6-7-12(9-10)15(11)3/h1,11-13H,5-9H2,2-3H3
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316n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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398n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471776
PNG
(CHEMBL111123)
Show SMILES CC#CCON=C1CC2CCC(C1)N2C |TLB:5:6:13:9.10|
Show InChI InChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h11-12H,5-9H2,1-2H3
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501n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
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630n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471774
PNG
(CHEMBL322555)
Show SMILES CN1C2CCC1CC(C2)=NOCCCC#C |THB:9:7:1:3.4|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h1,12-13H,4-10H2,2H3
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630n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471756
PNG
(CHEMBL109597)
Show SMILES CC#CCCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h12-13H,5-10H2,1-2H3
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794n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471759
PNG
(CHEMBL321041)
Show SMILES CN1C2CCC1CC(C2)=NOCC#C |THB:9:7:1:3.4|
Show InChI InChI=1S/C11H16N2O/c1-3-6-14-12-9-7-10-4-5-11(8-9)13(10)2/h1,10-11H,4-8H2,2H3
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1.25E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471760
PNG
(CHEMBL322342)
Show SMILES CN1C2CCC1CC(C2)=NOCCC#C |THB:9:7:1:3.4|
Show InChI InChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h1,11-12H,4-9H2,2H3
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1.58E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471766
PNG
(CHEMBL109985)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]C#C
Show InChI InChI=1S/C10H16N2O/c1-3-4-9-13-11-10-5-7-12(2)8-6-10/h1H,4-9H2,2H3
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1.58E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471769
PNG
(CHEMBL265521)
Show SMILES CC(CC#C)ON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-4-5-10(2)16-14-11-8-12-6-7-13(9-11)15(12)3/h1,10,12-13H,5-9H2,2-3H3
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1.58E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471770
PNG
(CHEMBL322293)
Show SMILES [#6]C#C[#6]-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C11H18N2O/c1-3-4-5-10-14-12-11-6-8-13(2)9-7-11/h5-10H2,1-2H3
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1.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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2.51E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471756
PNG
(CHEMBL109597)
Show SMILES CC#CCCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h12-13H,5-10H2,1-2H3
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2.51E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471777
PNG
(CHEMBL320121)
Show SMILES [#6]-[#6](-[#6]C#C)-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C11H18N2O/c1-4-5-10(2)14-12-11-6-8-13(3)9-7-11/h1,10H,5-9H2,2-3H3
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3.16E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471769
PNG
(CHEMBL265521)
Show SMILES CC(CC#C)ON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-4-5-10(2)16-14-11-8-12-6-7-13(9-11)15(12)3/h1,10,12-13H,5-9H2,2-3H3
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3.16E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471756
PNG
(CHEMBL109597)
Show SMILES CC#CCCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h12-13H,5-10H2,1-2H3
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3.16E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471775
PNG
(CHEMBL109593)
Show SMILES CCC#CCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h12-13H,3,6-10H2,1-2H3
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3.16E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471758
PNG
(CHEMBL109647)
Show SMILES [#6]-[#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C11H18N2O/c1-3-4-5-10-14-12-11-6-8-13(2)9-7-11/h3,6-10H2,1-2H3
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3.98E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471767
PNG
(CHEMBL109727)
Show SMILES CC(ON=C1CC2CCC(C1)N2C)C#C |TLB:3:4:11:7.8|
Show InChI InChI=1S/C12H18N2O/c1-4-9(2)15-13-10-7-11-5-6-12(8-10)14(11)3/h1,9,11-12H,5-8H2,2-3H3
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3.98E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471757
PNG
(CHEMBL111369)
Show SMILES [#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C10H16N2O/c1-3-4-9-13-11-10-5-7-12(2)8-6-10/h5-9H2,1-2H3
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3.98E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471775
PNG
(CHEMBL109593)
Show SMILES CCC#CCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h12-13H,3,6-10H2,1-2H3
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5.01E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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5.01E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471772
PNG
(CHEMBL109120)
Show SMILES [#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
Show InChI InChI=1S/C10H16N2O/c1-4-9(2)13-11-10-5-7-12(3)8-6-10/h1,9H,5-8H2,2-3H3
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5.01E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471763
PNG
(CHEMBL109068)
Show SMILES CCC(ON=C1CC2CCC(C1)N2C)C#C |TLB:4:5:12:8.9|
Show InChI InChI=1S/C13H20N2O/c1-4-13(5-2)16-14-10-8-11-6-7-12(9-10)15(11)3/h1,11-13H,5-9H2,2-3H3
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6.30E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471761
PNG
(CHEMBL111229)
Show SMILES [#6]-[#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
Show InChI InChI=1S/C11H18N2O/c1-4-11(5-2)14-12-10-6-8-13(3)9-7-10/h1,11H,5-9H2,2-3H3
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6.30E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471767
PNG
(CHEMBL109727)
Show SMILES CC(ON=C1CC2CCC(C1)N2C)C#C |TLB:3:4:11:7.8|
Show InChI InChI=1S/C12H18N2O/c1-4-9(2)15-13-10-7-11-5-6-12(8-10)14(11)3/h1,9,11-12H,5-8H2,2-3H3
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6.30E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471774
PNG
(CHEMBL322555)
Show SMILES CN1C2CCC1CC(C2)=NOCCCC#C |THB:9:7:1:3.4|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h1,12-13H,4-10H2,2H3
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6.30E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471763
PNG
(CHEMBL109068)
Show SMILES CCC(ON=C1CC2CCC(C1)N2C)C#C |TLB:4:5:12:8.9|
Show InChI InChI=1S/C13H20N2O/c1-4-13(5-2)16-14-10-8-11-6-7-12(9-10)15(11)3/h1,11-13H,5-9H2,2-3H3
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6.30E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50006584
PNG
((McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2...)
Show SMILES C[N+](C)(C)CC#CCOC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN2O2/c1-17(2,3)9-4-5-10-19-14(18)16-13-8-6-7-12(15)11-13/h6-8,11H,9-10H2,1-3H3/p+1
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6.30E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471768
PNG
(CHEMBL321842)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]-[#6]C#C
Show InChI InChI=1S/C11H18N2O/c1-3-4-5-10-14-12-11-6-8-13(2)9-7-11/h1H,4-10H2,2H3
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7.94E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471757
PNG
(CHEMBL111369)
Show SMILES [#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C10H16N2O/c1-3-4-9-13-11-10-5-7-12(2)8-6-10/h5-9H2,1-2H3
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7.94E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471761
PNG
(CHEMBL111229)
Show SMILES [#6]-[#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
Show InChI InChI=1S/C11H18N2O/c1-4-11(5-2)14-12-10-6-8-13(3)9-7-10/h1,11H,5-9H2,2-3H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471760
PNG
(CHEMBL322342)
Show SMILES CN1C2CCC1CC(C2)=NOCCC#C |THB:9:7:1:3.4|
Show InChI InChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h1,11-12H,4-9H2,2H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471761
PNG
(CHEMBL111229)
Show SMILES [#6]-[#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
Show InChI InChI=1S/C11H18N2O/c1-4-11(5-2)14-12-10-6-8-13(3)9-7-10/h1,11H,5-9H2,2-3H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471777
PNG
(CHEMBL320121)
Show SMILES [#6]-[#6](-[#6]C#C)-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1
Show InChI InChI=1S/C11H18N2O/c1-4-5-10(2)14-12-11-6-8-13(3)9-7-11/h1,10H,5-9H2,2-3H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471768
PNG
(CHEMBL321842)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]-[#6]C#C
Show InChI InChI=1S/C11H18N2O/c1-3-4-5-10-14-12-11-6-8-13(2)9-7-11/h1H,4-10H2,2H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(RAT)
BDBM50471774
PNG
(CHEMBL322555)
Show SMILES CN1C2CCC1CC(C2)=NOCCCC#C |THB:9:7:1:3.4|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h1,12-13H,4-10H2,2H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M3 by measuring its ability to displace [3H]N-methylscopolamine binding in rat submandibulary g...


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50471767
PNG
(CHEMBL109727)
Show SMILES CC(ON=C1CC2CCC(C1)N2C)C#C |TLB:3:4:11:7.8|
Show InChI InChI=1S/C12H18N2O/c1-4-9(2)15-13-10-7-11-5-6-12(8-10)14(11)3/h1,9,11-12H,5-8H2,2-3H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M1 by measuring its ability to displace [3H]pirenzepine from rat cerebral cortex


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471766
PNG
(CHEMBL109985)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]C#C
Show InChI InChI=1S/C10H16N2O/c1-3-4-9-13-11-10-5-7-12(2)8-6-10/h1H,4-9H2,2H3
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9.99E+3n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471775
PNG
(CHEMBL109593)
Show SMILES CCC#CCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|
Show InChI InChI=1S/C13H20N2O/c1-3-4-5-8-16-14-11-9-12-6-7-13(10-11)15(12)2/h12-13H,3,6-10H2,1-2H3
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1.25E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471772
PNG
(CHEMBL109120)
Show SMILES [#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C
Show InChI InChI=1S/C10H16N2O/c1-4-9(2)13-11-10-5-7-12(3)8-6-10/h1,9H,5-8H2,2-3H3
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1.25E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50471776
PNG
(CHEMBL111123)
Show SMILES CC#CCON=C1CC2CCC(C1)N2C |TLB:5:6:13:9.10|
Show InChI InChI=1S/C12H18N2O/c1-3-4-7-15-13-10-8-11-5-6-12(9-10)14(11)2/h11-12H,5-9H2,1-2H3
PDB

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UniChem
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1.25E+4n/an/an/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Binding affinity to Muscarinic acetylcholine receptor M2 by measuring its ability to displace [3H]N-methylscopolamine binding in rat heart


J Med Chem 41: 3220-31 (1998)


Article DOI: 10.1021/jm9708588
BindingDB Entry DOI: 10.7270/Q2M32ZH9
More data for this
Ligand-Target Pair
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