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Compile Data Set for Download or QSAR

Found 247 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M3'   
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 M3


(Cavia porcellus)
BDBM50004727
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CC(C#CCN1CCCC1)N1CCNC1=O
Show InChI InChI=1/C12H19N3O/c1-11(15-10-6-13-12(15)16)5-4-9-14-7-2-3-8-14/h11H,2-3,6-10H2,1H3,(H,13,16)
MMDB

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n/an/an/an/a 0n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004726
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O
Show InChI InChI=1/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3
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n/an/an/an/a 0n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004728
PNG
(1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O
Show InChI InChI=1/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)
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n/an/an/an/a 0n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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n/an/an/an/a 0.0450n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro contraction of guinea pig myenteric plexus preparation (mediated by Muscarinic M3 receptor)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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n/an/an/an/a 2.40n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for depolarizing response on the rat superior cervical ganglion(mediated by Muscarinic M1 receptor


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50343161
PNG
(5-((R)-2-(4-(4-(3-((R)-3-(diisopropylamino)-1-phen...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C
Show InChI InChI=1/C44H55N3O5/c1-30(2)47(31(3)4)26-24-36(34-11-6-5-7-12-34)39-28-33(15-20-40(39)48)10-8-9-27-52-35-16-13-32(14-17-35)23-25-45-29-42(50)37-18-21-41(49)44-38(37)19-22-43(51)46-44/h5-7,11-22,28,30-31,36,42,45,48-50H,8-10,23-27,29H2,1-4H3,(H,46,51)/t36-,42+/s2
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n/an/an/an/a 4n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor in guinea pig trachea assessed as bronchorelaxation activity in presence of propranolol


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50343153
PNG
(CHEMBL1773197 | N-(3-(3-((R)-3-(diisopropylamino)-...)
Show SMILES CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCNC(=O)Cc2cccc(CC(C)(C)NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)c2)ccc1O)C(C)C
Show InChI InChI=1/C45H62N4O6S/c1-31(2)49(32(3)4)24-22-38(36-16-9-8-10-17-36)39-26-33(18-20-41(39)50)15-12-23-46-44(53)27-34-13-11-14-35(25-34)29-45(5,6)47-30-43(52)37-19-21-42(51)40(28-37)48-56(7,54)55/h8-11,13-14,16-21,25-26,28,31-32,38,43,47-48,50-52H,12,15,22-24,27,29-30H2,1-7H3,(H,46,53)/t38-,43+/s2
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n/an/an/an/a 5.30n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor in guinea pig trachea assessed as bronchorelaxation activity in presence of propranolol


Bioorg Med Chem Lett 21: 2759-63 (2011)


Article DOI: 10.1016/j.bmcl.2010.10.132
BindingDB Entry DOI: 10.7270/Q2G73F1B
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005364
PNG
((3S,4R)3-Methyl-3-(3-methyl-[1,2,4]oxadiazol-5-yl)...)
Show SMILES Cc1noc(n1)C1(C)CN2CCC1C2
Show InChI InChI=1/C10H15N3O/c1-7-11-9(14-12-7)10(2)6-13-4-3-8(10)5-13/h8H,3-6H2,1-2H3
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n/an/an/an/a 13n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for the contraction of guinea pig myenteric plexus preparation (mediated by muscarinic acetylcholine receptor M3)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50005363
PNG
((3R,4R)3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1-aza-bi...)
Show SMILES Cc1noc(n1)C1CN2CCC1C2
Show InChI InChI=1/C9H13N3O/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
In vitro contraction of guinea pig myenteric plexus preparation (mediated by Muscarinic M3 receptor)


J Med Chem 35: 911-6 (1992)


Article DOI: 10.1021/jm00083a016
BindingDB Entry DOI: 10.7270/Q2S75F81
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
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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n/an/an/an/a 50n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
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n/an/an/an/a 100n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/an/a 120n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
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n/an/an/an/a 190n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
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n/an/an/an/a 500n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1
Show InChI InChI=1/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
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n/an/an/an/a 1.10E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004725
PNG
(1,3-Dimethyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-y...)
Show SMILES CNC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1/C12H21N3O/c1-11(14(3)12(16)13-2)7-6-10-15-8-4-5-9-15/h11H,4-5,8-10H2,1-3H3,(H,13,16)
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n/an/an/an/a 2.11E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004736
PNG
(1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea...)
Show SMILES CNC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H19N3O/c1-12-11(15)13(2)7-3-4-8-14-9-5-6-10-14/h5-10H2,1-2H3,(H,12,15)
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n/an/an/an/a 2.16E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
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n/an/an/an/a 2.67E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046728
PNG
(1-Methyl-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-1,2,3,...)
Show SMILES CN1CCC=C(C1)c1nc(C)no1
Show InChI InChI=1S/C9H13N3O/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3
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n/an/an/an/a 2.80E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50038213
PNG
(3-(2-Allyl-2H-[1,2,3]triazol-4-yl)-piperidine | CH...)
Show SMILES C=CCn1ncc(n1)C1CCCNC1
Show InChI InChI=1/C10H16N4/c1-2-6-14-12-8-10(13-14)9-4-3-5-11-7-9/h2,8-9,11H,1,3-7H2
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n/an/an/an/a 4.40E+3n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro ability of the compound to contract isolated guinea pig ileum was used to estimate M2/M3 agonist effect


J Med Chem 37: 4085-99 (1995)


Article DOI: 10.1021/jm00050a006
BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50057399
PNG
(5-(3-Methylsulfanylmethyl-[1,2,4]oxadiazol-5-yl)-1...)
Show SMILES CSCc1noc(n1)C1CNC=NC1
Show InChI InChI=1/C8H12N4OS/c1-14-4-7-11-8(13-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10)
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n/an/an/an/a 5.80E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50038226
PNG
(5-(2-Ethyl-2H-tetrazol-5-yl)-1,2,3,6-tetrahydro-py...)
Show SMILES CCn1nnc(n1)C1=CCCNC1
Show InChI InChI=1S/C8H13N5/c1-2-13-11-8(10-12-13)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3
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n/an/an/an/a 6.40E+3n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro ability of the compound to contract isolated guinea pig ileum was used to estimate M3 agonist effect


J Med Chem 37: 4085-99 (1995)


Article DOI: 10.1021/jm00050a006
BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
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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n/an/an/an/a 6.50E+3n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
In vitro ability of the compound to contract isolated guinea pig ileum was used to estimate M2/M3 agonist effect


J Med Chem 37: 4085-99 (1995)


Article DOI: 10.1021/jm00050a006
BindingDB Entry DOI: 10.7270/Q21N8066
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004730
PNG
(2-Oxo-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazolidi...)
Show SMILES O=CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H17N3O2/c16-11-15-10-9-14(12(15)17)8-4-3-7-13-5-1-2-6-13/h11H,1-2,5-10H2
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n/an/an/an/a 8.60E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/an/a 9.90E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50034625
PNG
(Aceclidine | Acetic acid 1-aza-bicyclo[2.2.2]oct-3...)
Show SMILES CC(=O)OC1CN2CCC1CC2
Show InChI InChI=1/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
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PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50046730
PNG
(5-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahyd...)
Show SMILES CCc1noc(n1)C1CNC=NC1
Show InChI InChI=1/C8H12N4O/c1-2-7-11-8(13-12-7)6-3-9-5-10-4-6/h5-6H,2-4H2,1H3,(H,9,10)
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n/an/an/an/a 1.00E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50057395
PNG
(5-(3-Methoxymethyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-...)
Show SMILES COCc1noc(n1)C1CNC=NC1
Show InChI InChI=1/C8H12N4O2/c1-13-4-7-11-8(14-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10)
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n/an/an/an/a 1.10E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/an/an/a 1.10E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/an/an/a 1.20E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50039834
PNG
(6-Amino-2,3,4,5-tetrahydro-pyridine-3-carboxylic a...)
Show SMILES NC1=NCC(CC1)C(=O)OCC#C
Show InChI InChI=1/C9H12N2O2/c1-2-5-13-9(12)7-3-4-8(10)11-6-7/h1,7H,3-6H2,(H2,10,11)
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n/an/an/an/a 1.20E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50039848
PNG
(6-Amino-2,3,4,5-tetrahydro-pyridine-3-carboxylic a...)
Show SMILES COC(=O)C1CCC(N)=NC1
Show InChI InChI=1/C7H12N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)
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n/an/an/an/a 1.40E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50039849
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid et...)
Show SMILES CCOC(=O)C1CNC=NC1
Show InChI InChI=1/C7H12N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h5-6H,2-4H2,1H3,(H,8,9)
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n/an/an/an/a 1.70E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50039843
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...)
Show SMILES O=C(OCC#C)C1CNC=NC1
Show InChI InChI=1/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)
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n/an/an/an/a 1.80E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004732
PNG
(1-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea | C...)
Show SMILES CN(CC#CCN1CCCC1)C(N)=O
Show InChI InChI=1S/C10H17N3O/c1-12(10(11)14)6-2-3-7-13-8-4-5-9-13/h4-9H2,1H3,(H2,11,14)
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n/an/an/an/a 4.49E+4n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004731
PNG
(3-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidine-2,4...)
Show SMILES Oc1c[nH]c(=O)n1CC#CCN1CCCC1
Show InChI InChI=1S/C11H15N3O2/c15-10-9-12-11(16)14(10)8-4-3-7-13-5-1-2-6-13/h9,15H,1-2,5-8H2,(H,12,16)
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n/an/an/an/a 4.64E+4n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Mus musculus)
BDBM50039839
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...)
Show SMILES COC(=O)C1CNC=NC1
Show InChI InChI=1/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)
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n/an/an/an/a 5.00E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M3 expressed in A9 L cell line


J Med Chem 40: 1230-46 (1997)


Article DOI: 10.1021/jm960467d
BindingDB Entry DOI: 10.7270/Q28916HS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004729
PNG
(1-Acetyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CC(=O)N1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H19N3O2/c1-12(17)16-11-10-15(13(16)18)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
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n/an/an/an/a>3.00E+5n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


J Med Chem 35: 3270-9 (1992)


Article DOI: 10.1021/jm00095a025
BindingDB Entry DOI: 10.7270/Q2KP813K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50055978
PNG
(4-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy)-1,...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C21H32NO3/c1-22(2)15-13-19(14-16-22)25-20(23)21(24,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3,5-6,9-10,18-19,24H,4,7-8,11-16H2,1-2H3/q+1/t21-/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M3 was determined in guinea pig ileum


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50055976
PNG
((R)-3-((R)-2-Cyclohexyl-2-hydroxy-2-phenyl-acetoxy...)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H32NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-20,25H,3,6-7,10-16H2,1H3/q+1/t17?,20-,22-,23?/m0/s1
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0.120n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M3 was determined in guinea pig ileum


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1/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)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50369230
PNG
(CHEMBL1398637 | CLIDINIUM)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H26NO3/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,20,25H,12-16H2,1H3/q+1/t17?,20-,23?/m0/s1
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0.650n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M3 was determined in guinea pig ileum


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50010096
PNG
(CHEMBL12980 | Hydroxy-diphenyl-acetic acid 1-aza-b...)
Show SMILES OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1
Show InChI InChI=1/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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4.60n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50034874
PNG
((R)-Hydroxy-(4-iodo-phenyl)-phenyl-acetic acid 1-a...)
Show SMILES O[C@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(I)cc1
Show InChI InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19?,21-/m1/s1
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8.10n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50034873
PNG
((S)-(4-Fluoromethyl-phenyl)-hydroxy-phenyl-acetic ...)
Show SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CF)cc1
Show InChI InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2/t20?,22-/m0/s1
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39n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50034873
PNG
((S)-(4-Fluoromethyl-phenyl)-hydroxy-phenyl-acetic ...)
Show SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CF)cc1
Show InChI InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2/t20?,22-/m0/s1
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39n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50034870
PNG
((S)-Hydroxy-(4-iodo-phenyl)-phenyl-acetic acid 1-a...)
Show SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(I)cc1
Show InChI InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/t19?,21-/m0/s1
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41n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50034872
PNG
((S)-[4-(3-Fluoro-propyl)-phenyl]-hydroxy-phenyl-ac...)
Show SMILES O[C@@](C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccc(CCCF)cc1
Show InChI InChI=1S/C24H28FNO3/c25-14-4-5-18-8-10-21(11-9-18)24(28,20-6-2-1-3-7-20)23(27)29-22-17-26-15-12-19(22)13-16-26/h1-3,6-11,19,22,28H,4-5,12-17H2/t22?,24-/m0/s1
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59n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
In vitro binding affinity against guinea pig ileum using [3H]-N-methylscopolamine


J Med Chem 38: 1711-9 (1995)


Article DOI: 10.1021/jm00010a016
BindingDB Entry DOI: 10.7270/Q2PV6JDQ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50036185
PNG
(3-(2'-Benzofuranyl)-quinuclidine-2-ene | 3-Benzofu...)
Show SMILES C1CN2CCC1C(=C2)c1cc2ccccc2o1
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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59n/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)


Article DOI: 10.1021/jm00003a011
BindingDB Entry DOI: 10.7270/Q25Q4V42
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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67n/an/an/an/an/an/an/an/a



Groningen University Hospital

Curated by ChEMBL


Assay Description
Binding affinity towards Muscarinic acetylcholine receptor M3 was determined in guinea pig ileum


J Med Chem 40: 117-24 (1997)


Article DOI: 10.1021/jm960374w
BindingDB Entry DOI: 10.7270/Q2VH5PG0
More data for this
Ligand-Target Pair
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