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Compile Data Set for Download or QSAR

Found 252 hits of ec50 for UniProtKB: P20309   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538220
PNG
(CHEMBL4638964)
Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r|
Show InChI InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12+,13-,16+,17-;
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n/an/an/an/a 0.400n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475448
PNG
(CHEMBL195011)
Show SMILES CCCCCCCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:9:10:21:14.13,THB:15:14:21:20.11.10|
Show InChI InChI=1S/C18H31NO4/c1-4-5-6-7-8-9-18(21)23-15-10-14-11-17(22-13(2)20)16(12-15)19(14)3/h14-17H,4-12H2,1-3H3
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n/an/an/an/a 1.74n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538203
PNG
(CHEMBL4647437)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClFN2O2.CH2O2/c1-25-9-7-14(8-10-25)20(13-25)27-21(26)24-19-6-5-17(23)12-18(19)15-3-2-4-16(22)11-15;2-1-3/h2-6,11-12,14,20H,7-10,13H2,1H3;1H,(H,2,3)/t14?,20-,25?;/m0./s1
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n/an/an/an/a 2.20n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538202
PNG
(CHEMBL4633816)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClF2N2O2.CH2O2/c1-26-8-6-13(7-9-26)20(12-26)28-21(27)25-19-5-3-15(23)11-16(19)14-2-4-18(24)17(22)10-14;2-1-3/h2-5,10-11,13,20H,6-9,12H2,1H3;1H,(H,2,3)/t13?,20-,26?;/m0./s1
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n/an/an/an/a 2.20n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 3.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay

J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 3.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in BHK-21 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining

Bioorg Med Chem Lett 22: 5134-40 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.048
BindingDB Entry DOI: 10.7270/Q24M95MM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17|
Show InChI InChI=1S/C16H25N3OS/c1-2-3-4-5-10-21-16-15(17-7-8-18-16)20-14-12-19-9-6-13(14)11-19/h7-8,13-14H,2-6,9-12H2,1H3/t13?,14-/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro functional agonism against M3 muscarinic receptor (PI)

Bioorg Med Chem Lett 9: 1895-900 (1999)


BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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n/an/an/an/a 4.10n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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n/an/an/an/a 4.10n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475454
PNG
(CHEMBL196218)
Show SMILES CCCCCC(=O)OC1CC2CC(CC1N2C)OC(=O)CCCCC |TLB:17:12:15:8.9,THB:7:8:15:13.11.12|
Show InChI InChI=1S/C20H35NO4/c1-4-6-8-10-19(22)24-16-12-15-13-18(17(14-16)21(15)3)25-20(23)11-9-7-5-2/h15-18H,4-14H2,1-3H3
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n/an/an/an/a 4.79n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538220
PNG
(CHEMBL4638964)
Show SMILES [Br-].[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1 |r|
Show InChI InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11-,12+,13-,16+,17-;
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n/an/an/an/a 5.80n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50064609
PNG
(6-acetoxy-8-azonia-bicyclo[3.2.1]octane | Acetic a...)
Show SMILES CC(=O)OC1CC2CCCC1N2 |TLB:3:4:11:9.8.7|
Show InChI InChI=1S/C9H15NO2/c1-6(11)12-9-5-7-3-2-4-8(9)10-7/h7-10H,2-5H2,1H3
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n/an/an/an/a 6.17n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538203
PNG
(CHEMBL4647437)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H22ClFN2O2.CH2O2/c1-25-9-7-14(8-10-25)20(13-25)27-21(26)24-19-6-5-17(23)12-18(19)15-3-2-4-16(22)11-15;2-1-3/h2-6,11-12,14,20H,7-10,13H2,1H3;1H,(H,2,3)/t14?,20-,25?;/m0./s1
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n/an/an/an/a 6.30n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475459
PNG
(CHEMBL194008)
Show SMILES CCCCCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:7:8:19:12.11,THB:13:12:19:18.9.8|
Show InChI InChI=1S/C16H27NO4/c1-4-5-6-7-16(19)21-13-8-12-9-15(20-11(2)18)14(10-13)17(12)3/h12-15H,4-10H2,1-3H3
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n/an/an/an/a 6.46n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538202
PNG
(CHEMBL4633816)
Show SMILES C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1 |r|
Show InChI InChI=1S/C21H21ClF2N2O2.CH2O2/c1-26-8-6-13(7-9-26)20(12-26)28-21(27)25-19-5-3-15(23)11-16(19)14-2-4-18(24)17(22)10-14;2-1-3/h2-5,10-11,13,20H,6-9,12H2,1H3;1H,(H,2,3)/t13?,20-,26?;/m0./s1
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n/an/an/an/a 6.80n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538206
PNG
(CHEMBL4640703)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)
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n/an/an/an/a 6.90n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538205
PNG
(CHEMBL4636528)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c20-16-9-13(1-3-17(16)22)15-10-14(21)2-4-18(15)24-19(25)26-11-12-5-7-23-8-6-12/h1-4,9-10,12,23H,5-8,11H2,(H,24,25)
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n/an/an/an/a 9.30n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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n/an/an/an/a 11n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538206
PNG
(CHEMBL4640703)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)
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n/an/an/an/a 14n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538208
PNG
(CHEMBL4648071)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1cccc(Cl)c1 |r,wU:9.8,(59.08,-25.57,;59.08,-24.06,;60.42,-23.29,;60.41,-21.74,;59.07,-20.98,;59.07,-19.44,;60.41,-18.66,;60.4,-17.12,;61.74,-19.43,;63.07,-18.66,;63.07,-17.12,;64.4,-16.35,;65.74,-17.12,;65.74,-18.66,;64.41,-19.43,;64.89,-18.24,;63.9,-17.85,;57.75,-21.75,;57.75,-23.29,;56.42,-20.98,;55.09,-21.75,;53.75,-20.99,;53.75,-19.44,;55.09,-18.67,;55.09,-17.16,;56.42,-19.44,)|
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-3-1-2-14(10-15)17-11-16(22)4-5-18(17)23-20(25)26-19-12-24-8-6-13(19)7-9-24/h1-5,10-11,13,19H,6-9,12H2,(H,23,25)/t19-/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538207
PNG
(CHEMBL4640324)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1 |r,wU:9.8,(12.23,-40.25,;12.23,-38.74,;13.58,-37.97,;13.57,-36.42,;12.23,-35.65,;12.23,-34.11,;13.56,-33.34,;13.56,-31.8,;14.89,-34.11,;16.23,-33.33,;16.23,-31.8,;17.56,-31.03,;18.9,-31.8,;18.9,-33.34,;17.57,-34.11,;18.04,-32.92,;17.05,-32.52,;10.91,-36.42,;10.9,-37.97,;9.57,-35.66,;8.25,-36.42,;6.91,-35.66,;6.91,-34.11,;5.6,-33.36,;8.25,-33.34,;8.25,-31.83,;9.57,-34.11,)|
Show InChI InChI=1S/C20H19ClF2N2O2/c21-16-9-13(1-3-17(16)23)15-10-14(22)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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n/an/an/an/a 19n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		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 21n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		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 22n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as beta-arrestin...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 23n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M3 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins b...

J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM10759
PNG
(2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...)
Show SMILES CC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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n/an/an/an/a 23n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human muscarinic M3 receptor expressed in CHO cells assessed as upregulation in ERK1/2 phosphorylation after 5 mins b...

J Med Chem 60: 9239-9250 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01113
BindingDB Entry DOI: 10.7270/Q2445PW2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		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 24n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50370682
PNG
(SOLIFENACIN)
Show SMILES [H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|
Show InChI InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2/t21-,22-/m0/s1
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n/an/an/an/a 24n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538207
PNG
(CHEMBL4640324)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1 |r,wU:9.8,(12.23,-40.25,;12.23,-38.74,;13.58,-37.97,;13.57,-36.42,;12.23,-35.65,;12.23,-34.11,;13.56,-33.34,;13.56,-31.8,;14.89,-34.11,;16.23,-33.33,;16.23,-31.8,;17.56,-31.03,;18.9,-31.8,;18.9,-33.34,;17.57,-34.11,;18.04,-32.92,;17.05,-32.52,;10.91,-36.42,;10.9,-37.97,;9.57,-35.66,;8.25,-36.42,;6.91,-35.66,;6.91,-34.11,;5.6,-33.36,;8.25,-33.34,;8.25,-31.83,;9.57,-34.11,)|
Show InChI InChI=1S/C20H19ClF2N2O2/c21-16-9-13(1-3-17(16)23)15-10-14(22)2-4-18(15)24-20(26)27-19-11-25-7-5-12(19)6-8-25/h1-4,9-10,12,19H,5-8,11H2,(H,24,26)/t19-/m0/s1
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n/an/an/an/a 25n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		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 25n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538206
PNG
(CHEMBL4640703)
Show SMILES Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c20-15-3-1-2-14(10-15)17-11-16(21)4-5-18(17)23-19(24)25-12-13-6-8-22-9-7-13/h1-5,10-11,13,22H,6-9,12H2,(H,23,24)
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n/an/an/an/a 26n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475443
PNG
(CHEMBL364454)
Show SMILES CCCCCCC(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:8:9:20:13.12,THB:14:13:20:19.10.9|
Show InChI InChI=1S/C17H29NO4/c1-4-5-6-7-8-17(20)22-14-9-13-10-16(21-12(2)19)15(11-14)18(13)3/h13-16H,4-11H2,1-3H3
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n/an/an/an/a 26.9n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50538208
PNG
(CHEMBL4648071)
Show SMILES Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1cccc(Cl)c1 |r,wU:9.8,(59.08,-25.57,;59.08,-24.06,;60.42,-23.29,;60.41,-21.74,;59.07,-20.98,;59.07,-19.44,;60.41,-18.66,;60.4,-17.12,;61.74,-19.43,;63.07,-18.66,;63.07,-17.12,;64.4,-16.35,;65.74,-17.12,;65.74,-18.66,;64.41,-19.43,;64.89,-18.24,;63.9,-17.85,;57.75,-21.75,;57.75,-23.29,;56.42,-20.98,;55.09,-21.75,;53.75,-20.99,;53.75,-19.44,;55.09,-18.67,;55.09,-17.16,;56.42,-19.44,)|
Show InChI InChI=1S/C20H20ClFN2O2/c21-15-3-1-2-14(10-15)17-11-16(22)4-5-18(17)23-20(25)26-19-12-24-8-6-13(19)7-9-24/h1-5,10-11,13,19H,6-9,12H2,(H,23,25)/t19-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at muscarinic M3 receptor (unknown origin) expressed in HEK293 cells coexpressing EA tagged beta-arrestin2 assessed as inhibition...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50046728
PNG
(1-Methyl-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-1,2,3,...)
Show SMILES CN1CCC=C(C1)c1nc(C)no1 |c:4|
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 32n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.

J Med Chem 34: 687-92 (1991)


BindingDB Entry DOI: 10.7270/Q2RN3B25
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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n/an/an/an/a 32n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in HEK293 cells assessed as increase in IP1 accumulation incubated for 90 min by TR-HTRF a...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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US Patent
n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...

US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...

US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475458
PNG
(CHEMBL194793)
Show SMILES CN1C2CC(OC(C)=O)C1CC(C2)OS(=O)(=O)c1ccc(cc1)[N+]([O-])=O |TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C16H20N2O7S/c1-10(19)24-16-8-12-7-13(9-15(16)17(12)2)25-26(22,23)14-5-3-11(4-6-14)18(20)21/h3-6,12-13,15-16H,7-9H2,1-2H3
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n/an/an/an/a 44.7n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50109647
PNG
(2-{1-[2-(2,3-Dihydro-benzofuran-5-yl)-ethyl]-pyrro...)
Show SMILES NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
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n/an/an/an/a 45n/an/an/an/a



Friedrich-Alexander-Universit£t Erlangen-N£rnberg

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M3 receptor expressed in HEK293 assessed as inhibition of carbachol-induced IP1 accumulation preincubated for...

J Med Chem 63: 4349-4369 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00297
BindingDB Entry DOI: 10.7270/Q2CR5XWB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...

US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475453
PNG
(CHEMBL372536)
Show SMILES CN1C2CC(OC(C)=O)C1CC(C2)OS(=O)(=O)c1ccccc1 |TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C16H21NO5S/c1-11(18)21-16-9-12-8-13(10-15(16)17(12)2)22-23(19,20)14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-10H2,1-2H3
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n/an/an/an/a 50.1n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50416733
PNG
(CHEMBL1223803)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:4.3,7.7,(20.54,1.43,;19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.99,-11.4,;8.65,-12.17,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
Show InChI InChI=1S/C24H36N2O2/c1-4-15-28-21-7-11-24(3,12-8-21)25-13-9-20(10-14-25)26-22-16-18(2)5-6-19(22)17-23(26)27/h5-6,16,20-21H,4,7-15,17H2,1-3H3/t21-,24-
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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		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 70n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Contraction of guinea pig ileum by muscarinic AChR activation, which could be inhibited by application of atropine

J Med Chem 29: 1004-9 (1986)


BindingDB Entry DOI: 10.7270/Q2XP73XW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1 |t:4|
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 73n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.

J Med Chem 34: 687-92 (1991)


BindingDB Entry DOI: 10.7270/Q2RN3B25
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
NIH-3T3 cells were grown in 96-well tissue culture plates to 70% to 80% confluence. Cells were transfected with plasmid DNAs using Superfect Reagent ...

US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475449
PNG
(CHEMBL197092)
Show SMILES CC(=O)OC1CC2NC1CCC2O |TLB:3:4:7:11.9.10,THB:12:11:7:4.5|
Show InChI InChI=1S/C9H15NO3/c1-5(11)13-9-4-7-8(12)3-2-6(9)10-7/h6-10,12H,2-4H2,1H3
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n/an/an/an/a 79.4n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))		BDBM50416732
PNG
(CHEMBL1223754)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
Show InChI InChI=1S/C23H34FN3O2/c1-4-13-29-18-5-9-23(3,10-6-18)26-11-7-17(8-12-26)27-21-14-16(2)19(24)15-20(21)25-22(27)28/h14-15,17-18H,4-13H2,1-3H3,(H,25,28)/t18-,23-
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n/an/an/an/a 79.4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 20: 5434-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475450
PNG
(CHEMBL194196)
Show SMILES CN1C2CC(OC(C)=O)C1CC(C2)OS(=O)(=O)c1cccc(C)c1 |TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Show InChI InChI=1S/C17H23NO5S/c1-11-5-4-6-15(7-11)24(20,21)23-14-8-13-9-17(22-12(2)19)16(10-14)18(13)3/h4-7,13-14,16-17H,8-10H2,1-3H3
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n/an/an/an/a 89.1n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50475446
PNG
(CHEMBL196151)
Show SMILES COc1ccc(cc1)S(=O)(=O)OC1CC2CC(OC(C)=O)C(C1)N2C |TLB:11:12:23:16.15,THB:17:16:23:12.22.13|
Show InChI InChI=1S/C17H23NO6S/c1-11(19)23-17-9-12-8-14(10-16(17)18(12)2)24-25(20,21)15-6-4-13(22-3)5-7-15/h4-7,12,14,16-17H,8-10H2,1-3H3
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n/an/an/an/a 93.3n/an/an/an/a



Shanghai Second Medical University

Curated by ChEMBL


Assay Description
Agonistic activity against Muscarinic acetylcholine receptor of guinea pig ileal longitudinal muscle

Bioorg Med Chem Lett 15: 4814-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.045
BindingDB Entry DOI: 10.7270/Q23T9KZT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50228570
PNG
(CHEMBL1788202)
Show SMILES C[C@H](C#CCN1CCCC1)N(C)C(C)=O |r|
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3/t11-/m1/s1
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n/an/an/an/a 94n/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Compound was tested for its potency against Muscarinic acetylcholine receptor in guinea pig ileum

J Med Chem 33: 3182-9 (1990)


BindingDB Entry DOI: 10.7270/Q2QV3PR1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5


(Homo sapiens (Human))		BDBM50229049
PNG
(CHEMBL351934)
Show SMILES OC(=O)C(O)=O.CCCc1noc(n1)C1=CCCN(C)C1 |t:14|
Show InChI InChI=1S/C11H17N3O/c1-3-5-10-12-11(15-13-10)9-6-4-7-14(2)8-9/h6H,3-5,7-8H2,1-2H3
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n/an/an/an/a 100n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic acetylcholine receptor in isolated guinea pig ileum.

J Med Chem 34: 687-92 (1991)


BindingDB Entry DOI: 10.7270/Q2RN3B25
More data for this
Ligand-Target Pair
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