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Compile Data Set for Download or QSAR

Found 1965 hits Enz. Inhib. hit(s) with Target = 'Muscarinic acetylcholine receptor M2 and M4'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50107702
PNG
(1,10-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C26H40N6S4/c1-31-15-11-13-21(19-31)23-25(29-35-27-23)33-17-9-7-5-3-4-6-8-10-18-34-26-24(28-36-30-26)22-14-12-16-32(2)20-22/h13-14H,3-12,15-20H2,1-2H3
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n/an/an/an/a 0.600n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.


J Med Chem 44: 4563-76 (2001)


Article DOI: 10.1021/jm0102405
BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50107710
PNG
(1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C28H44N6S4/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3
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n/an/an/an/a 1n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.


J Med Chem 44: 4563-76 (2001)


Article DOI: 10.1021/jm0102405
BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50107715
PNG
(1,12-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C28H44N6O2S2/c1-33-17-13-15-23(21-33)25-27(31-37-29-25)35-19-11-9-7-5-3-4-6-8-10-12-20-36-28-26(30-38-32-28)24-16-14-18-34(2)22-24/h15-16H,3-14,17-22H2,1-2H3
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n/an/an/an/a 1.40n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.


J Med Chem 44: 4563-76 (2001)


Article DOI: 10.1021/jm0102405
BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280428
PNG
(US10030012, Example 58 | ethyl 4-[4-(5- chloro-2- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(Cl)cnc1OC
Show InChI InChI=1S/C20H30ClN3O3/c1-3-27-20(25)24-9-4-5-17(8-12-24)23-10-6-15(7-11-23)18-13-16(21)14-22-19(18)26-2/h13-15,17H,3-12H2,1-2H3
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n/an/an/an/a 2n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50502361
PNG
(CHEMBL4583597)
Show SMILES CCOC(=O)N1CCC2(CC(C2)N2C[C@H]3[C@@H](C2)[C@H]3c2nccn2-c2ccccc2)C1
Show InChI InChI=1S/C24H30N4O2/c1-2-30-23(29)26-10-8-24(16-26)12-18(13-24)27-14-19-20(15-27)21(19)22-25-9-11-28(22)17-6-4-3-5-7-17/h3-7,9,11,18-21H,2,8,10,12-16H2,1H3/t18?,19-,20+,21-,24?
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n/an/an/an/a 3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50107709
PNG
(1,11-di[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl...)
Show SMILES CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C27H42N6S4/c1-32-16-12-14-22(20-32)24-26(30-36-28-24)34-18-10-8-6-4-3-5-7-9-11-19-35-27-25(29-37-31-27)23-15-13-17-33(2)21-23/h14-15H,3-13,16-21H2,1-2H3
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n/an/an/an/a 4.70n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.


J Med Chem 44: 4563-76 (2001)


Article DOI: 10.1021/jm0102405
BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50107697
PNG
(1-[4-(1-methyl-1,2,3,6-tetrahydro-5-pyridinyl)-1,2...)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C24H36N6O5S2/c1-29-7-3-5-19(17-29)21-23(27-36-25-21)34-15-13-32-11-9-31-10-12-33-14-16-35-24-22(26-37-28-24)20-6-4-8-30(2)18-20/h5-6H,3-4,7-18H2,1-2H3
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n/an/an/an/a 5.20n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Agonist activity against M4 muscarinic receptor expressed in RBL-2H3 Mast cells.


J Med Chem 44: 4563-76 (2001)


Article DOI: 10.1021/jm0102405
BindingDB Entry DOI: 10.7270/Q2765DN7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50061705
PNG
((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...)
Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1
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n/an/an/an/a 5.70n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay


ACS Med Chem Lett 4: 244-8 (2013)


Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
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 6n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assess...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
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 6.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...


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 M2 and M4


(Homo sapiens (Human))
BDBM50502369
PNG
(CHEMBL4515088)
Show SMILES C1C(CC11CCN(C1)c1cnccn1)N1C[C@H]2[C@@H](C1)[C@H]2c1nccn1-c1ccccc1
Show InChI InChI=1S/C25H28N6/c1-2-4-18(5-3-1)31-11-9-28-24(31)23-20-15-30(16-21(20)23)19-12-25(13-19)6-10-29(17-25)22-14-26-7-8-27-22/h1-5,7-9,11,14,19-21,23H,6,10,12-13,15-17H2/t19?,20-,21+,23-,25?
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n/an/an/an/a 7n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253109
PNG
(CHEMBL4066508)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncc3Cl)c(N)c2c1C
Show InChI InChI=1S/C17H17ClN6OS/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(25)21-10-6-24(7-10)12-3-4-20-5-11(12)18/h3-5,10H,6-7,19H2,1-2H3,(H,21,25)
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n/an/an/an/a 8n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50521763
PNG
(CHEMBL4579086)
Show SMILES Cc1nnc2c(Cl)c(C)c3c(N)c(sc3n12)C(=O)NC1Cc2ccccc2C1
Show InChI InChI=1S/C20H18ClN5OS/c1-9-14-16(22)17(28-20(14)26-10(2)24-25-18(26)15(9)21)19(27)23-13-7-11-5-3-4-6-12(11)8-13/h3-6,13H,7-8,22H2,1-2H3,(H,23,27)
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n/an/an/an/a 8n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...


Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253109
PNG
(CHEMBL4066508)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3ccncc3Cl)c(N)c2c1C
Show InChI InChI=1S/C17H17ClN6OS/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(25)21-10-6-24(7-10)12-3-4-20-5-11(12)18/h3-5,10H,6-7,19H2,1-2H3,(H,21,25)
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n/an/an/an/a 8.10n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50502348
PNG
(CHEMBL4543638)
Show SMILES CCOC(=O)N1CCC2(CC(C2)N2CCC(CC2)c2ncccc2OC)C1
Show InChI InChI=1S/C21H31N3O3/c1-3-27-20(25)24-12-8-21(15-24)13-17(14-21)23-10-6-16(7-11-23)19-18(26-2)5-4-9-22-19/h4-5,9,16-17H,3,6-8,10-15H2,1-2H3
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n/an/an/an/a 9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
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 9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Positive allosteric modulatory activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assess...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50263888
PNG
(CHEMBL491209 | Ethyl 4-(2-oxo-2,3-dihydro-1Hbenzo[...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H28N4O3/c1-2-27-20(26)23-13-7-15(8-14-23)22-11-9-16(10-12-22)24-18-6-4-3-5-17(18)21-19(24)25/h3-6,15-16H,2,7-14H2,1H3,(H,21,25)
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n/an/an/an/a 9.10n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5439-42 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50275588
PNG
(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-...)
Show SMILES NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H29N5O3/c21-19(26)28-14-13-23-9-5-15(6-10-23)24-11-7-16(8-12-24)25-18-4-2-1-3-17(18)22-20(25)27/h1-4,15-16H,5-14H2,(H2,21,26)(H,22,27)
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n/an/an/an/a 9.10n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin)


Bioorg Med Chem Lett 18: 5443-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.032
BindingDB Entry DOI: 10.7270/Q29K4B1C
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 10n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in BHK-21 cells coexpressing Galpha16 subunit assessed as increase of acetylcholine-induce...


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 M4


(Homo sapiens (Human))
BDBM280422
PNG
(US10030012, Example 52 | ethyl 4-{4-[2- (difluoro-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F
Show InChI InChI=1S/C20H29F2N3O3/c1-2-27-20(26)25-11-4-5-16(9-14-25)24-12-7-15(8-13-24)17-6-3-10-23-18(17)28-19(21)22/h3,6,10,15-16,19H,2,4-5,7-9,11-14H2,1H3
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n/an/an/an/a 10n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 10n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic human M4 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 M2 and M4


(Homo sapiens (Human))
BDBM50253108
PNG
(CHEMBL4088704)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cc(F)nc(F)c3)c(N)c2c1C
Show InChI InChI=1S/C17H16F2N6OS/c1-7-8(2)23-24-17-13(7)14(20)15(27-17)16(26)21-9-5-25(6-9)10-3-11(18)22-12(19)4-10/h3-4,9H,5-6,20H2,1-2H3,(H,21,26)
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n/an/an/an/a 11n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM280408
PNG
(US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
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n/an/an/an/a 11n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253108
PNG
(CHEMBL4088704)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cc(F)nc(F)c3)c(N)c2c1C
Show InChI InChI=1S/C17H16F2N6OS/c1-7-8(2)23-24-17-13(7)14(20)15(27-17)16(26)21-9-5-25(6-9)10-3-11(18)22-12(19)4-10/h3-4,9H,5-6,20H2,1-2H3,(H,21,26)
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n/an/an/an/a 11n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50521766
PNG
(CHEMBL4459622)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3CN(C3)c3ccc(F)c(F)c3)c(N)c12
Show InChI InChI=1S/C19H16F2N6OS/c1-9-4-14-25-23-8-27(14)19-15(9)16(22)17(29-19)18(28)24-10-6-26(7-10)11-2-3-12(20)13(21)5-11/h2-5,8,10H,6-7,22H2,1H3,(H,24,28)
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n/an/an/an/a 12n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...


Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50521784
PNG
(CHEMBL4475459)
Show SMILES Cc1c(Cl)c2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Show InChI InChI=1S/C19H16ClN5OS/c1-9-13-15(21)16(27-19(13)25-8-22-24-17(25)14(9)20)18(26)23-12-6-10-4-2-3-5-11(10)7-12/h2-5,8,12H,6-7,21H2,1H3,(H,23,26)
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n/an/an/an/a 12n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...


Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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
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 12.6n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells co-expressing Gqi5 chimaeric G-protein assessed as effect on calcium mobiliza...


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 M4


(Homo sapiens (Human))
BDBM50019336
PNG
(CHEMBL3289442)
Show SMILES CCOC(=O)N1CCC(C)(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1
Show InChI InChI=1S/C22H34N4O4S/c1-4-30-20(27)25-14-7-21(2,8-15-25)16-24-12-9-22(10-13-24)17-26(31(3,28)29)19-18(22)6-5-11-23-19/h5-6,11H,4,7-10,12-17H2,1-3H3
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n/an/an/an/a 13n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic acetylcholine receptor M4 expressed in CHO cells assessed as calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 24: 2909-12 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.083
BindingDB Entry DOI: 10.7270/Q2BG2QKM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
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 14n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50458998
PNG
(CHEMBL4202966)
Show SMILES Cc1cc2C(=O)NCc2nc1N1CCC(CC1)Oc1ccc2[nH]ncc2c1
Show InChI InChI=1S/C20H21N5O2/c1-12-8-16-18(11-21-20(16)26)23-19(12)25-6-4-14(5-7-25)27-15-2-3-17-13(9-15)10-22-24-17/h2-3,8-10,14H,4-7,11H2,1H3,(H,21,26)(H,22,24)
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n/an/an/an/a 14n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50458989
PNG
(CHEMBL4215436)
Show SMILES Cc1cc2C(=O)OCc2nc1N1CCC(CC1)Oc1cccc(c1)C#N
Show InChI InChI=1S/C20H19N3O3/c1-13-9-17-18(12-25-20(17)24)22-19(13)23-7-5-15(6-8-23)26-16-4-2-3-14(10-16)11-21/h2-4,9-10,15H,5-8,12H2,1H3
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n/an/an/an/a 14n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253112
PNG
(CHEMBL4104144)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cncc(F)c3)c(N)c2c1C
Show InChI InChI=1S/C17H17FN6OS/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(25)21-11-6-24(7-11)12-3-10(18)4-20-5-12/h3-5,11H,6-7,19H2,1-2H3,(H,21,25)
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n/an/an/an/a 15n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50458999
PNG
(CHEMBL4211671)
Show SMILES COc1ccc(OC2CCN(CC2)c2nc3oc(=O)[nH]c(=O)c3c(Cl)c2C)cn1
Show InChI InChI=1S/C19H19ClN4O5/c1-10-15(20)14-17(25)23-19(26)29-18(14)22-16(10)24-7-5-11(6-8-24)28-12-3-4-13(27-2)21-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,23,25,26)
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n/an/an/an/a 15n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50428140
PNG
(CHEMBL2336056)
Show SMILES CCOC(=O)N1CCC(C)(CN2CC[C@@H](C2)N2C(=O)Cc3ccccc23)CC1
Show InChI InChI=1S/C22H31N3O3/c1-3-28-21(27)24-12-9-22(2,10-13-24)16-23-11-8-18(15-23)25-19-7-5-4-6-17(19)14-20(25)26/h4-7,18H,3,8-16H2,1-2H3/t18-/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Partial agonist activity at human M4 receptor co-expressed with Galpha16 in CHO cells assessed as calcium mobilization after 60 mins by FLIPR assay


ACS Med Chem Lett 4: 244-8 (2013)


Article DOI: 10.1021/ml300372f
BindingDB Entry DOI: 10.7270/Q20Z74N3
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
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 16n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human M4 receptor expressed in HEK293T cells by BRET based Gq protein activation assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50502353
PNG
(CHEMBL4455058)
Show SMILES COc1cccnc1C1CCN(CC1)C1CCCN(CC1)c1cnccn1
Show InChI InChI=1S/C21H29N5O/c1-27-19-5-2-9-24-21(19)17-6-13-25(14-7-17)18-4-3-12-26(15-8-18)20-16-22-10-11-23-20/h2,5,9-11,16-18H,3-4,6-8,12-15H2,1H3
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n/an/an/an/a 16n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50521761
PNG
(CHEMBL4446894)
Show SMILES Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12
Show InChI InChI=1S/C13H12ClN5OS/c1-5-7-9(15)10(12(20)17-6-2-3-6)21-13(7)19-4-16-18-11(19)8(5)14/h4,6H,2-3,15H2,1H3,(H,17,20)
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n/an/an/an/a 16n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...


Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253112
PNG
(CHEMBL4104144)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cncc(F)c3)c(N)c2c1C
Show InChI InChI=1S/C17H17FN6OS/c1-8-9(2)22-23-17-13(8)14(19)15(26-17)16(25)21-11-6-24(7-11)12-3-10(18)4-20-5-12/h3-5,11H,6-7,19H2,1-2H3,(H,21,25)
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n/an/an/an/a 16n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253072
PNG
(CHEMBL4083327)
Show SMILES COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
Show InChI InChI=1S/C18H20N6O2S/c1-9-10(2)22-23-18-14(9)15(19)16(27-18)17(25)21-11-7-24(8-11)12-4-13(26-3)6-20-5-12/h4-6,11H,7-8,19H2,1-3H3,(H,21,25)
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n/an/an/an/a 17n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50459000
PNG
(CHEMBL4208543)
Show SMILES Cc1cc2C(=O)NCc2nc1N1CC[C@@H](Oc2ccc3n(C)ncc3c2)[C@@H](F)C1
Show InChI InChI=1S/C21H22FN5O2/c1-12-7-15-17(10-23-21(15)28)25-20(12)27-6-5-19(16(22)11-27)29-14-3-4-18-13(8-14)9-24-26(18)2/h3-4,7-9,16,19H,5-6,10-11H2,1-2H3,(H,23,28)/t16-,19+/m0/s1
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n/an/an/an/a 17n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50521755
PNG
(CHEMBL4575270)
Show SMILES Cc1cc2nncn2c2sc(C(=O)NC3Cc4ccccc4C3)c(N)c12
Show InChI InChI=1S/C19H17N5OS/c1-10-6-14-23-21-9-24(14)19-15(10)16(20)17(26-19)18(25)22-13-7-11-4-2-3-5-12(11)8-13/h2-6,9,13H,7-8,20H2,1H3,(H,22,25)
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n/an/an/an/a 17n/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 AchR expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium mobil...


Bioorg Med Chem Lett 29: 2224-2228 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.032
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253072
PNG
(CHEMBL4083327)
Show SMILES COc1cncc(c1)N1CC(C1)NC(=O)c1sc2nnc(C)c(C)c2c1N
Show InChI InChI=1S/C18H20N6O2S/c1-9-10(2)22-23-18-14(9)15(19)16(27-18)17(25)21-11-7-24(8-11)12-4-13(26-3)6-20-5-12/h4-6,11H,7-8,19H2,1-3H3,(H,21,25)
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n/an/an/an/a 17n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253113
PNG
(CHEMBL4101054)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cccnc3F)c(N)c2c1C
Show InChI InChI=1S/C17H17FN6OS/c1-8-9(2)22-23-17-12(8)13(19)14(26-17)16(25)21-10-6-24(7-10)11-4-3-5-20-15(11)18/h3-5,10H,6-7,19H2,1-2H3,(H,21,25)
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n/an/an/an/a 18n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
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 18n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human Muscarinic acetylcholine receptor M4 expressed in HEK cells co-expressing Glosensor construct assessed as decrease in isopr...


ACS Med Chem Lett 10: 941-948 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00106
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50458996
PNG
(CHEMBL4208024)
Show SMILES COc1ccc(OC2CCN(CC2)c2nc3[nH]c(=O)[nH]c(=O)c3cc2C)cn1
Show InChI InChI=1S/C19H21N5O4/c1-11-9-14-16(22-19(26)23-18(14)25)21-17(11)24-7-5-12(6-8-24)28-13-3-4-15(27-2)20-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,21,22,23,25,26)
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n/an/an/an/a 18n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50458993
PNG
(CHEMBL4210497)
Show SMILES Cc1cc2c(cn[nH]c2=O)nc1N1CCC(CC1)OCC1(C)CC1
Show InChI InChI=1S/C18H24N4O2/c1-12-9-14-15(10-19-21-17(14)23)20-16(12)22-7-3-13(4-8-22)24-11-18(2)5-6-18/h9-10,13H,3-8,11H2,1-2H3,(H,21,23)
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n/an/an/an/a 18n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50458990
PNG
(CHEMBL4207853)
Show SMILES Cc1cc(nnc1N1CCC(CC1)Oc1ccc2OCCOc2c1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C25H27N5O4/c1-17-14-21(25(31)27-16-18-4-8-26-9-5-18)28-29-24(17)30-10-6-19(7-11-30)34-20-2-3-22-23(15-20)33-13-12-32-22/h2-5,8-9,14-15,19H,6-7,10-13,16H2,1H3,(H,27,31)
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n/an/an/an/a 18n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic acetylcholine receptor M4 expressed in CHO-K1 cells coexpressing Galphaqi5 assessed as increase in...


ACS Med Chem Lett 9: 783-784 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00330
BindingDB Entry DOI: 10.7270/Q2C53PGF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50030223
PNG
(CHEMBL3354068)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C32H47N5O2S/c1-35-19-9-13-28(25-35)31-32(34-40-33-31)39-24-8-4-2-3-5-11-26-17-22-36(23-18-26)20-10-21-37-29-14-7-6-12-27(29)15-16-30(37)38/h6-7,12-14,26H,2-5,8-11,15-25H2,1H3
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n/an/an/an/a 19n/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human M4 receptor expressed in HEK293T cells by BRET based Gq protein engagement assay


J Med Chem 57: 9065-77 (2014)


Article DOI: 10.1021/jm501173q
BindingDB Entry DOI: 10.7270/Q2FT8NNB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253092
PNG
(CHEMBL4062319)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C
Show InChI InChI=1S/C18H17F2N5OS/c1-8-9(2)23-24-18-13(8)15(21)16(27-18)17(26)22-10-6-25(7-10)12-5-3-4-11(19)14(12)20/h3-5,10H,6-7,21H2,1-2H3,(H,22,26)
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n/an/an/an/a 19n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of KDM5A in human PC9 cells assessed as increase in H3K4me3 level after 5 days by mass-spectrometric method


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(Homo sapiens (Human))
BDBM50253092
PNG
(CHEMBL4062319)
Show SMILES Cc1nnc2sc(C(=O)NC3CN(C3)c3cccc(F)c3F)c(N)c2c1C
Show InChI InChI=1S/C18H17F2N5OS/c1-8-9(2)23-24-18-13(8)15(21)16(27-18)17(26)22-10-6-25(7-10)12-5-3-4-11(19)14(12)20/h3-5,10H,6-7,21H2,1-2H3,(H,22,26)
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n/an/an/an/a 19n/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqi5 assessed as increase in acetylcholine-induced calcium m...


Bioorg Med Chem Lett 27: 2990-2995 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.014
BindingDB Entry DOI: 10.7270/Q2MS3W6Q
More data for this
Ligand-Target Pair
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