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Compile Data Set for Download or QSAR

Found 435 hits of ic50 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))
BDBM50296345
PNG
((1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl...)
Show SMILES C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|
Show InChI InChI=1S/C19H22NO4S2/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/q+1/t11-,12-,13-,16-,17+/m1/s1
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n/an/a 0.0398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 7458-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.016
BindingDB Entry DOI: 10.7270/Q2GM88K4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50417445
PNG
(AHR-504 | CUVPOSA | GLYCOPYRROLATE)
Show SMILES C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
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n/an/a 0.158n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 7458-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.016
BindingDB Entry DOI: 10.7270/Q2GM88K4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50296331
PNG
((3R)-3-{[Hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phe...)
Show SMILES OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|
Show InChI InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO-K1 cells after 16 hrs by scintillation proximity assay


Bioorg Med Chem Lett 20: 7458-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.016
BindingDB Entry DOI: 10.7270/Q2GM88K4
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/a 0.400n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS radioligand using membranes from trans...


Bioorg Med Chem Lett 8: 1991-6 (1999)


BindingDB Entry DOI: 10.7270/Q2FB53F2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577264
PNG
(CHEMBL4873386)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r|
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n/an/a 0.427n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577264
PNG
(CHEMBL4873386)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r|
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n/an/a 0.430n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577262
PNG
(CHEMBL4853244)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2nn(C)cc2c1 |r|
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n/an/a 0.440n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]NMS from human muscarinic receptor M4 expressed in CHO cell membranes incubated for 3 hrs by radiometric scintillation counting a...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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n/an/a 0.490n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]4-DAMP from human recombinant muscarinic M4 receptor expressed in CHO cells


Bioorg Med Chem 24: 1793-810 (2016)


Article DOI: 10.1016/j.bmc.2016.03.006
BindingDB Entry DOI: 10.7270/Q2J67JS7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50176065
PNG
(4-DAMP | 4-Diphenylacetoxy-1,1-dimethyl-piperidini...)
Show SMILES C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H26NO2/c1-22(2)15-13-19(14-16-22)24-21(23)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/q+1
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n/an/a 0.490n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]4-DAMP from human recombinant M4 receptor expressed in CHO cells measured after 60 mins by scintillation counting method


Bioorg Med Chem 25: 471-482 (2017)


Article DOI: 10.1016/j.bmc.2016.11.014
BindingDB Entry DOI: 10.7270/Q2CF9S3S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 0.575n/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Antagonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced mVen...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577264
PNG
(CHEMBL4873386)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r|
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n/an/a 0.589n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577264
PNG
(CHEMBL4873386)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1Cl |r|
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n/an/a 0.590n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM39341
PNG
(11-[(4-methylpiperazin-1-yl)acetyl]-5,11-dihydro-6...)
Show SMILES CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
Show InChI InChI=1S/C19H21N5O2/c1-22-9-11-23(12-10-22)13-17(25)24-16-7-3-2-5-14(16)19(26)21-15-6-4-8-20-18(15)24/h2-8H,9-13H2,1H3,(H,21,26)
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by beta-arrestin engagement ...


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 M4


(Homo sapiens (Human))
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by beta-arrestin engagement ...


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 M4


(Homo sapiens (Human))
BDBM50577267
PNG
(CHEMBL4855467)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577267
PNG
(CHEMBL4855467)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(NC(C)=O)cc1 |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577271
PNG
(CHEMBL4864914)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577271
PNG
(CHEMBL4864914)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)ccc1F |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577268
PNG
(CHEMBL4851711)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1F |r|
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50596231
PNG
(CHEMBL5182783)
Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
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n/an/a 1.80n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50596231
PNG
(CHEMBL5182783)
Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50241132
PNG
(3-Hydroxy-2-phenyl-propionic acid 9-methyl-3-oxa-9...)
Show SMILES C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS radioligand using membranes from trans...


Bioorg Med Chem Lett 8: 1991-6 (1999)


BindingDB Entry DOI: 10.7270/Q2FB53F2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577269
PNG
(CHEMBL4854289)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577269
PNG
(CHEMBL4854289)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccc(F)c1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577265
PNG
(CHEMBL4876599)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577265
PNG
(CHEMBL4876599)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccccc1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein act...


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 M4


(Homo sapiens (Human))
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 3.80n/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Antagonist activity at human M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced response by BRET based Gq protein eng...


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 M4


(Homo sapiens (Human))
BDBM50577263
PNG
(CHEMBL4850236)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577263
PNG
(CHEMBL4850236)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577263
PNG
(CHEMBL4850236)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
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n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577263
PNG
(CHEMBL4850236)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50366775
PNG
(BENZTROPINE | Benzatropine)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI: 10.7270/Q2445R41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577266
PNG
(CHEMBL4848896)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577266
PNG
(CHEMBL4848896)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cccnc1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50452855
PNG
(Isoptpo Hyoscine | Scopolamine)
Show SMILES [H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|
Show InChI InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15+,16+/m1/s1
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n/an/a 5.40n/an/an/an/an/an/a



Scuola di Scienze del Farmaco e dei Prodotti della Salute , Università di Camerino , Via S. Agostino 1 , 62032 Camerino , Italy.

Curated by ChEMBL


Assay Description
Antagonist activity at human SP/Myc epitope-tagged muscarinic M4 receptor expressed in HEK293T cells assessed as inhibition of carbachol-induced RLuc...


J Med Chem 61: 3712-3725 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00265
BindingDB Entry DOI: 10.7270/Q20K2C2P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM81462
PNG
((R)-Trihexyphenidyl | (S)-Trihexyphenidyl | Benzhe...)
Show SMILES OC(CCN1CCCCC1)(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2
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n/an/a 6.70n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research

Curated by ChEMBL


Assay Description
Evaluated for its binding affinity at human muscarinic receptor m4 by the displacement of [3H]NMS binding using membranes from transfected chinese ha...


Bioorg Med Chem Lett 8: 1991-6 (1999)


BindingDB Entry DOI: 10.7270/Q2FB53F2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577270
PNG
(CHEMBL4860985)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577272
PNG
(CHEMBL4865665)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r|
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n/an/a 7.80n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577272
PNG
(CHEMBL4865665)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc2C(=O)N(C)Cc2c1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50577270
PNG
(CHEMBL4860985)
Show SMILES [H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1ccc(F)cc1 |r|
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TBA

Assay Description
Antagonist activity at human muscarinic acetylcholine M4 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobi...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00363
BindingDB Entry DOI: 10.7270/Q22B92V4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50292438
PNG
(1,-(4-amino-5-oxotridecane-1,13-diyl)diguanidine |...)
Show SMILES [#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
Show InChI InChI=1S/C15H33N7O/c16-12(8-7-11-22-15(19)20)13(23)9-5-3-1-2-4-6-10-21-14(17)18/h12H,1-11,16H2,(H4,17,18,21)(H4,19,20,22)
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of QNB from muscarinic M4 receptor


J Nat Prod 58: 843-847 (1995)


Article DOI: 10.1021/np50120a004
BindingDB Entry DOI: 10.7270/Q2FJ2GS1
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM521037
PNG
(7-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N- [6-(2,4-d...)
Show SMILES Cc1cnn(C)c1-c1ccc(NC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
For high throughput measurement of agonist-evoked increases in intracellular calcium, CHO-K1 cells stably expressing muscarinic receptors were plated...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD14VC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM521012
PNG
(7-(5-bicyclo[2.2.1]hept-2-enylmethyl)-N- [6-(1,3-d...)
Show SMILES Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CCN(CC2CC4CC2C=C4)CC3)nn1 |c:28|
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
For high throughput measurement of agonist-evoked increases in intracellular calcium, CHO-K1 cells stably expressing muscarinic receptors were plated...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2XD14VC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50596229
PNG
(CHEMBL5205163)
Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
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TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50596229
PNG
(CHEMBL5205163)
Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
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n/an/a 12n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50411207
PNG
(CHEMBL216927 | CHEMBL553058)
Show SMILES COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |t:27|
Show InChI InChI=1S/C19H29N5O6S2/c1-24-5-3-4-15(14-24)16-17(21-31-20-16)29-12-10-27-8-6-26-7-9-28-11-13-30-19-18(25-2)22-32-23-19/h4H,3,5-14H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Inhibitory activity was evaluated against Muscarinic acetylcholine receptor M4 expressed in A9 L cells ; Not determined


J Med Chem 46: 4273-86 (2003)


Article DOI: 10.1021/jm0301235
BindingDB Entry DOI: 10.7270/Q2MG7QT4
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50608203
PNG
(CHEMBL5287400)
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n/an/a 17n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50596242
PNG
(CHEMBL5185664)
Show SMILES Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC22CCN(CC3CCCCC3)CC2)nn1
PDB

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n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128479
BindingDB Entry DOI: 10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50549891
PNG
(CHEMBL4790083)
Show SMILES O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI: 10.7270/Q2445R41
More data for this
Ligand-Target Pair
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