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Compile Data Set for Download or QSAR

Found 364 hits of ec50 for UniProtKB: P08173   
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 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.


Citation and Details
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.


Citation and Details
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.


Citation and Details
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
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n/an/an/an/a 2n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

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.


Citation and Details
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.


Citation and Details
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



Drug Discovery Division, Dainippon Sumitomo Pharma Co. Ltd. , 33-94 Enoki-cho, Suita, Osaka 564-0053, Japan.

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)

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)

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)

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)

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)

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
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n/an/an/an/a 10n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

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)

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)

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)

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



Drug Discovery Division, Dainippon Sumitomo Pharma Co. Ltd. , 33-94 Enoki-cho, Suita, Osaka 564-0053, Japan.

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)

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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50226767
PNG
(CHEMBL160553)
Show SMILES [Br-].C[N+]1(CC#CCN2CCCC2=O)CC1
MMDB

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n/an/an/an/a 16n/an/an/an/a



TBA

Curated by ChEMBL




Citation and Details
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50391743
PNG
(CHEMBL2146597)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C18H25N3O/c22-18-19-16-8-4-5-9-17(16)21(18)15-10-12-20(13-11-15)14-6-2-1-3-7-14/h4-5,8-9,14-15H,1-3,6-7,10-13H2,(H,19,22)
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n/an/an/an/a 19.9n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells coexpressing Galpha16 subunit assessed as intracellular calcium mobilization ...


ACS Med Chem Lett 1: 244-248 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280413
PNG
(US10030012, Example 43 | ethyl 4-{4-[2- methoxy-5-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(cnc1OC)C(F)(F)F
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n/an/an/an/a 20n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280412
PNG
(US10030012, Example 42 | ethyl 4-[4-(2- ethoxy-5-m...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
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n/an/an/an/a 20n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280424
PNG
(US10030012, Example 54 | ethyl 4-(4-{2-[(3- methyl...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cc(C)no1
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n/an/an/an/a 20n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280446
PNG
(US10030012, Example 76 | ethyl 4-{4-[2- (1,3-thiaz...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cscn1
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n/an/an/an/a 22n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280454
PNG
(US10030012, Example 85 | ethyl (4S)-4-[4- (2-metho...)
Show SMILES CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1cccnc1OC
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n/an/an/an/a 26n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50428138
PNG
(CHEMBL2336059)
Show SMILES CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2
Show InChI InChI=1S/C23H31N3O3/c1-2-29-23(28)25-18-7-8-19(25)12-16(11-18)14-24-10-9-20(15-24)26-21-6-4-3-5-17(21)13-22(26)27/h3-6,16,18-20H,2,7-15H2,1H3/t16-,18-,19+,20-/m0/s1
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n/an/an/an/a 29n/an/an/an/a



Drug Discovery Division, Dainippon Sumitomo Pharma Co. Ltd. , 33-94 Enoki-cho, Suita, Osaka 564-0053, Japan.

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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280408
PNG
(US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
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n/an/an/an/a 30n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280405
PNG
(US10030012, Example 35 | ethyl 4-[4-(2- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC
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n/an/an/an/a 30n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50035277
PNG
(3-Prop-2-ynyloxy-5,6,7,8-tetrahydro-4H-isoxazolo[4...)
Show SMILES C#CCOc1noc2CCCNCc12
Show InChI InChI=1S/C10H12N2O2/c1-2-6-13-10-8-7-11-5-3-4-9(8)14-12-10/h1,11H,3-7H2
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n/an/an/an/a 30n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M4 determined by receptor selection and amplification technology (R-SAT)


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50030222
PNG
(CHEMBL3354067)
Show SMILES CN1CCC=C(C1)c1nsnc1OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1
Show InChI InChI=1S/C30H43N5O2S/c1-33-17-7-11-26(23-33)29-30(32-38-31-29)37-22-6-2-3-9-24-15-20-34(21-16-24)18-8-19-35-27-12-5-4-10-25(27)13-14-28(35)36/h4-5,10-12,24H,2-3,6-9,13-23H2,1H3
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n/an/an/an/a 31n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416734
PNG
(CHEMBL1223804)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C23H34N2O2/c1-4-27-20-7-11-23(3,12-8-20)24-13-9-19(10-14-24)25-21-15-17(2)5-6-18(21)16-22(25)26/h5-6,15,19-20H,4,7-14,16H2,1-3H3/t20-,23-
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n/an/an/an/a 31.6n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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
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




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor 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 33n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M4 determined by receptor selection and amplification technology (R-SAT)


Citation and Details
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 35n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50416733
PNG
(CHEMBL1223803)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
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 39.8n/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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50044634
PNG
(CHEMBL3310802)
Show SMILES CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1
Show InChI InChI=1S/C23H35N5O3/c1-4-31-22(30)27-12-7-18(8-13-27)16-26-14-9-23(10-15-26)17-28(21(29)25(2)3)20-19(23)6-5-11-24-20/h5-6,11,18H,4,7-10,12-17H2,1-3H3
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n/an/an/an/a 47n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M4 receptor (unknown origin) by calcium mobilization assay


Bioorg Med Chem Lett 24: 3189-93 (2014)

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 49n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M4 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50423942
PNG
(CHEMBL2313402)
Show SMILES Cc1nc2sc(C(=O)NC3CCOC3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C14H16ClN3O2S/c1-6-9-11(16)12(13(19)18-8-3-4-20-5-8)21-14(9)17-7(2)10(6)15/h8H,3-5,16H2,1-2H3,(H,18,19)
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n/an/an/an/a 52n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50071171
PNG
(9-Methoxy-2-methyl-11,12-dihydro-3H,6aH,13H-6-oxa-...)
Show SMILES CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12
Show InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
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n/an/an/an/a 54n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...


Bioorg Med Chem Lett 18: 2972-6 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50423967
PNG
(CHEMBL2057417)
Show SMILES Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C16H15ClN4OS/c1-8-11-13(18)14(23-16(11)21-9(2)12(8)17)15(22)20-7-10-3-5-19-6-4-10/h3-6H,7,18H2,1-2H3,(H,20,22)
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n/an/an/an/a 56n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM280423
PNG
(US10030012, Example 53 | ethyl 4-[4-(2- ethoxypyri...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCC
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n/an/an/an/a 60n/an/an/an/a



Pfizer





J Med Chem 37: 2224-31 (1994)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50207523
PNG
(CHEMBL3982695)
Show SMILES CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqui5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 171-175 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50207523
PNG
(CHEMBL3982695)
Show SMILES CSc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2N)cc1
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n/an/an/an/a 60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human M4 receptor expressed in CHO cells co-expressing Gqui5 by calcium mobilization assay


Bioorg Med Chem Lett 27: 171-175 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50423965
PNG
(CHEMBL2313379)
Show SMILES Cc1cc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)ccn1
Show InChI InChI=1S/C17H17ClN4OS/c1-8-6-11(4-5-20-8)7-21-16(23)15-14(19)12-9(2)13(18)10(3)22-17(12)24-15/h4-6H,7,19H2,1-3H3,(H,21,23)
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n/an/an/an/a 61n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50376590
PNG
(CHEMBL402207)
Show SMILES C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(CC1)C1CC[N+](C)(CCCC(O)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C44H58N2O2/c1-45(31-15-29-43(47,39-17-7-3-8-18-39)40-19-9-4-10-20-40)33-25-37(26-34-45)38-27-35-46(2,36-28-38)32-16-30-44(48,41-21-11-5-12-22-41)42-23-13-6-14-24-42/h3-14,17-24,37-38,47-48H,15-16,25-36H2,1-2H3/q+2
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n/an/an/an/a 67n/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor expressed in CHO cells assessed as blockade of carbachol-induced inhibition of forskolin-stimulat...


Bioorg Med Chem Lett 18: 2972-6 (2008)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50035278
PNG
(3-Ethoxy-5,6,7,8-tetrahydro-4H-isoxazolo[4,5-c]aze...)
Show SMILES CCOc1noc2CCCNCc12
Show InChI InChI=1S/C9H14N2O2/c1-2-12-9-7-6-10-5-3-4-8(7)13-11-9/h10H,2-6H2,1H3
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n/an/an/an/a 67n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M4 determined by receptor selection and amplification technology (R-SAT)


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


(Homo sapiens (Human))
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 73n/an/an/an/a



Ferrosan A/S

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 75n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M4 determined by receptor selection and amplification technology (R-SAT)


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50423968
PNG
(CHEMBL2313377)
Show SMILES Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C13H14ClN3OS/c1-5-8-10(15)11(12(18)17-7-3-4-7)19-13(8)16-6(2)9(5)14/h7H,3-4,15H2,1-2H3,(H,17,18)
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n/an/an/an/a 77n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50423953
PNG
(CHEMBL2313391)
Show SMILES Cc1nc2sc(C(=O)NCc3ccc4OCOc4c3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C18H16ClN3O3S/c1-8-13-15(20)16(26-18(13)22-9(2)14(8)19)17(23)21-6-10-3-4-11-12(5-10)25-7-24-11/h3-5H,6-7,20H2,1-2H3,(H,21,23)
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n/an/an/an/a 80n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M4 receptor expressed in CHO-K1 cells assessed as leftward shift in acetylcholine response treated...


Bioorg Med Chem Lett 23: 346-50 (2012)

More data for this
Ligand-Target Pair
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