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Compile Data Set for Download or QSAR

Found 580 hits of ec50 data for polymerid = 49000358,49000377,50000212,50000829,50000830,5682   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 0.512n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 1.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 1.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in BHK-21 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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
PDB

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n/an/an/an/a 3.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


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


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


(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
PDB

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n/an/an/an/a 3.20n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


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


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


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



Wyeth-Ayerst Research

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 19n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 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 M2 and M4


(HUMAN M3)
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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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

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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 19.9n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50024542
PNG
(CHEMBL3334991)
Show SMILES O[C@H]1C[C@H](C1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1/C18H15FN2O2/c19-14-3-1-2-12(8-14)4-5-13-6-7-17(20-11-13)18(23)21-15-9-16(22)10-15/h1-3,6-8,11,15-16,22H,9-10H2,(H,21,23)/t15-,16+
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n/an/an/an/a 33n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic acetylcholine receptor M5 expressed in CHO cells by fluorometric imaging plate reader


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 34.3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 34.3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M5 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50044634
PNG
(CHEMBL3310802)
Show SMILES OC(=O)\C=C\C(O)=O.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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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 M1/M5 chimeric protein


(Homo sapiens)
BDBM50416738
PNG
(CHEMBL1223860)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O
Show InChI InChI=1S/C22H31FN2O3/c1-4-27-17-5-9-22(3,10-6-17)24-11-7-16(8-12-24)25-19-13-15(2)18(23)14-20(19)28-21(25)26/h13-14,16-17H,4-12H2,1-3H3/t17-,22-
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n/an/an/an/a 50.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
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 55n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M5 determined by receptor selection and amplification technology (R-SAT)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


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


(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-
PDB

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n/an/an/an/a 63.1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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...


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
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)


J Med Chem 38: 2188-95 (1995)

More data for this
Ligand-Target Pair
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