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Compile Data Set for Download or QSAR

Found 132 hits of ec50 data for polymerid = 5682   
Target/Host
(Institution)
LigandTarget/Host
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


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



H. Lundbeck A/S

Curated by ChEMBL


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


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

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



H. Lundbeck A/S

Curated by ChEMBL


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


J Med Chem 53: 6386-97 (2010)

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)


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


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
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n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193787
PNG
(US9670209, Compound 304 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(C)cc12
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n/an/an/an/a 40n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193789
PNG
(US9670209, Compound 307 1-((R)-3-(3-(Cyclopropylme...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccc(F)cc12
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n/an/an/an/a 50n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

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



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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n/an/an/an/a 70n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2
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n/an/an/an/a 79n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 79.4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

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 100n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(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 113n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin)


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 113n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M3 receptor (unknown origin)


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 117n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 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


(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 120n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


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


J Med Chem 53: 6386-97 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 126n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193791
PNG
(US9670209, Compound 309 1-((R)-3-(3-(2-Methoxyethy...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(F)cc12
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n/an/an/an/a 130n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 130n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
BDBM50035280
PNG
(3-Isopropoxy-5,6,7,8-tetrahydro-4H-isoxazolo[4,5-c...)
Show SMILES CC(C)Oc1noc2CCCNCc12
Show InChI InChI=1S/C10H16N2O2/c1-7(2)13-10-8-6-11-5-3-4-9(8)14-12-10/h7,11H,3-6H2,1-2H3
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n/an/an/an/a 140n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
BDBM193784
PNG
(US9670209, Compound 302 1-((R)-3-((1R,3R,5S)-3-(cy...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC1CC1)Cn1ncc2ccccc12
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n/an/an/an/a 160n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

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
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n/an/an/an/a 205n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 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


(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 210n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
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 220n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50024984
PNG
(1,2,5,6-Tetrahydro-pyridine-3-carboxylic acid meth...)
Show SMILES COC(=O)C1=CCCNC1
Show InChI InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
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n/an/an/an/a 300n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50416735
PNG
(CHEMBL1223805)
Show SMILES CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12
Show InChI InChI=1S/C22H32N2O2/c1-16-4-5-17-15-21(25)24(20(17)14-16)18-8-12-23(13-9-18)22(2)10-6-19(26-3)7-11-22/h4-5,14,18-19H,6-13,15H2,1-3H3/t19-,22-
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n/an/an/an/a 316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

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 340n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
BDBM50416728
PNG
(CHEMBL1223938)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC
Show InChI InChI=1S/C23H34N2O5S/c1-4-29-18-8-12-23(3,13-9-18)24-14-10-17(11-15-24)25-20-16-19(31(27,28)5-2)6-7-21(20)30-22(25)26/h6-7,16-18H,4-5,8-15H2,1-3H3/t18-,23-
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n/an/an/an/a 398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 500n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
BDBM193802
PNG
(US9670209, Compound 312 1-((R)-3-(3-(cyclopropylme...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12
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US Patent
n/an/an/an/a 500n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM193790
PNG
(US9670209, Compound 308 1-((R)-3-(3-(Allyloxy)-8-a...)
Show SMILES C[C@H](CN1[C@H]2CC[C@@H]1C[C@@H](C2)OCC=C)Cn1ncc2ccc(F)cc12
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n/an/an/an/a 500n/an/an/an/a



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


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


US Patent US9670209 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50035279
PNG
(3-Methoxy-5,6,7,8-tetrahydro-4H-isoxazolo[4,5-c]az...)
Show SMILES COc1noc2CCCNCc12
Show InChI InChI=1S/C8H12N2O2/c1-11-8-6-5-9-4-2-3-7(6)12-10-8/h9H,2-5H2,1H3
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n/an/an/an/a 620n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
BDBM50416730
PNG
(CHEMBL1223940)
Show SMILES COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O
Show InChI InChI=1S/C23H34N2O4/c1-17-4-5-21-20(16-17)25(22(26)29-21)18-8-12-24(13-9-18)23(2)10-6-19(7-11-23)28-15-14-27-3/h4-5,16,18-19H,6-15H2,1-3H3/t19-,23-
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n/an/an/an/a 631n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
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 794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50024996
PNG
(3-Methoxy-5-methyl-4,5,6,7-tetrahydro-isoxazolo[4,...)
Show SMILES COc1noc2CC[NH+](C)Cc12
Show InChI InChI=1S/C8H12N2O2/c1-10-4-3-7-6(5-10)8(11-2)9-12-7/h3-5H2,1-2H3/p+1
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n/an/an/an/a 800n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50336544
PNG
((+)-Muscarine chloride | CHEMBL1255785 | muscarine...)
Show SMILES C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O
Show InChI InChI=1S/C9H20NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-9,11H,5-6H2,1-4H3/q+1/t7-,8-,9+/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50024995
PNG
(3-Prop-2-ynyloxy-4,5,6,7-tetrahydro-isoxazolo[4,5-...)
Show SMILES C#CCOc1noc2CC[NH2+]Cc12
Show InChI InChI=1S/C9H10N2O2/c1-2-5-12-9-7-6-10-4-3-8(7)13-11-9/h1,10H,3-6H2/p+1
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50416727
PNG
(CHEMBL1223864)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O
Show InChI InChI=1S/C22H32N2O5S/c1-4-28-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(30(3,26)27)5-6-20(19)29-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 1.26E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50416725
PNG
(CHEMBL1223862)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O
Show InChI InChI=1S/C22H32N2O4/c1-4-27-17-7-11-22(2,12-8-17)23-13-9-16(10-14-23)24-19-15-18(26-3)5-6-20(19)28-21(24)25/h5-6,15-17H,4,7-14H2,1-3H3/t17-,22-
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n/an/an/an/a 1.58E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50024979
PNG
(3-Ethoxy-5-methyl-4,5,6,7-tetrahydro-isoxazolo[4,5...)
Show SMILES CCOc1noc2CC[NH+](C)Cc12
Show InChI InChI=1S/C9H14N2O2/c1-3-12-9-7-6-11(2)5-4-8(7)13-10-9/h3-6H2,1-2H3/p+1
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n/an/an/an/a 1.60E+3n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(Homo sapiens (Human))
BDBM50024988
PNG
(3-Methoxy-4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyrid...)
Show SMILES COc1noc2CC[NH2+]Cc12
Show InChI InChI=1S/C7H10N2O2/c1-10-7-5-4-8-3-2-6(5)11-9-7/h8H,2-4H2,1H3/p+1
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n/an/an/an/a 1.80E+3n/an/an/an/a



TBA

Curated by ChEMBL


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


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


(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 1.80E+3n/an/an/an/a



Royal Danish School of Pharmacy

Curated by ChEMBL


Assay Description
In Vitro activity at the cloned Human Muscarinic acetylcholine receptor M3 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))
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/an/an/a 1.80E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(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 1.90E+3n/an/an/an/a



University of Wuerzburg

Curated by ChEMBL


Assay Description
Activation of M3-ACh receptor-FLASH/CFP expressed in HEK293 cells assessed as FRET signal


Bioorg Med Chem 19: 1048-54 (2011)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50416736
PNG
(CHEMBL1223806)
Show SMILES CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O
Show InChI InChI=1S/C21H30N2O3/c1-15-4-5-19-18(14-15)23(20(24)26-19)16-8-12-22(13-9-16)21(2)10-6-17(25-3)7-11-21/h4-5,14,16-17H,6-13H2,1-3H3/t17-,21-
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n/an/an/an/a 2.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50416739
PNG
(CHEMBL1223861)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O
Show InChI InChI=1S/C22H31FN2O3/c1-4-27-17-5-9-22(3,10-6-17)24-11-7-16(8-12-24)25-19-14-15(2)13-18(23)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 2.00E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50023229
PNG
(CHEMBL3329755)
Show SMILES CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1
Show InChI InChI=1S/C23H25F3N4O3S/c1-2-29(15-17-5-3-4-6-20(17)23(24,25)26)22(31)16-9-11-30(12-10-16)34(32,33)19-7-8-21-18(13-19)14-27-28-21/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,27,28)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay


J Med Chem 57: 7804-10 (2014)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50258723
PNG
(7-chloro-1-(4-(trifluoromethyl)benzyl)indoline-2,3...)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
Show InChI InChI=1S/C16H9ClF3NO2/c17-12-3-1-2-11-13(12)21(15(23)14(11)22)8-9-4-6-10(7-5-9)16(18,19)20/h1-7H,8H2
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n/an/an/an/a 2.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M3 expressed in CHO cells assessed as stimulation of calcium mobilization


Bioorg Med Chem Lett 20: 558-62 (2010)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50258723
PNG
(7-chloro-1-(4-(trifluoromethyl)benzyl)indoline-2,3...)
Show SMILES FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1
Show InChI InChI=1S/C16H9ClF3NO2/c17-12-3-1-2-11-13(12)21(15(23)14(11)22)8-9-4-6-10(7-5-9)16(18,19)20/h1-7H,8H2
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n/an/an/an/a 2.22E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of human muscarinic M3 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...


J Med Chem 52: 3445-8 (2009)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50347783
PNG
(CHEMBL1223753)
Show SMILES Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F
Show InChI InChI=1S/C18H24FN3O2/c1-12-10-17-16(11-15(12)19)20-18(23)22(17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)
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Article
PubMed
n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50347783
PNG
(CHEMBL1223753)
Show SMILES Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F
Show InChI InChI=1S/C18H24FN3O2/c1-12-10-17-16(11-15(12)19)20-18(23)22(17)14-2-6-21(7-3-14)13-4-8-24-9-5-13/h10-11,13-14H,2-9H2,1H3,(H,20,23)
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Article
n/an/an/an/a 2.51E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human muscarinic M3 receptor expressed in CHO cells assessed as intracellular calcium mobilization after 10 to 15 mins by FLIPR a...


Citation and Details
More data for this
Ligand-Target Pair
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