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Compile Data Set for Download or QSAR

Found 1258 hits of ec50 data for polymerid = 10062   
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 M1


(Homo sapiens (Human))		BDBM50072225
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynylsulfanyl)-[1,...)
Show SMILES C(Sc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3S2/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor

Bioorg Med Chem Lett 8: 2897-902 (1999)


BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C22H30FN3O/c1-15(13-26-22-8-18(23)5-4-17(22)11-24-26)12-25-19-6-7-20(25)10-21(9-19)27-14-16-2-3-16/h4-5,8,11,15-16,19-21H,2-3,6-7,9-10,12-14H2,1H3/t15-,19-,20+,21+/m1/s1
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n/an/an/an/a 0.320n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416734
PNG
(CHEMBL1223804)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.16,-5.34,;11.46,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
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 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
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 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:12:11:10.4.5:7.8|
Show InChI InChI=1S/C21H30FN3O/c1-15(14-25-21-11-18(22)4-3-17(21)12-23-25)13-24-19-5-6-20(24)10-16(9-19)7-8-26-2/h3-4,11-12,15-16,19-20H,5-10,13-14H2,1-2H3/t15-,16-,19+,20-/m1/s1
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n/an/an/an/a 0.400n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:12:11:10.4.5:7.8|
Show InChI InChI=1S/C22H33N3O/c1-16-4-5-19-13-23-25(22(19)10-16)15-17(2)14-24-20-6-7-21(24)12-18(11-20)8-9-26-3/h4-5,10,13,17-18,20-21H,6-9,11-12,14-15H2,1-3H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 0.5n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50072227
PNG
((1R,5R,6R)-6-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]t...)
Show SMILES C(Oc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3OS/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor

Bioorg Med Chem Lett 8: 2897-902 (1999)


BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416733
PNG
(CHEMBL1223803)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:4.3,7.7,(20.54,1.43,;19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.99,-11.4,;8.65,-12.17,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|
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 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50034656
PNG
(CHEMBL3360954)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc3c(n[nH]c3=O)c3ccccc23)c(F)c1
Show InChI InChI=1S/C21H16FN5O/c1-26-10-15(9-23-26)13-6-7-14(18(22)8-13)11-27-12-17-20(24-25-21(17)28)16-4-2-3-5-19(16)27/h2-10,12H,11H2,1H3,(H,25,28)
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n/an/an/an/a 0.600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay

Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50263892
PNG
(6-Fluoro-1-[1'-(2-methyl-benzyl)-[1,4']bipiperidin...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-4-2-3-5-19(18)17-28-12-8-21(9-13-28)29-14-10-22(11-15-29)30-24-16-20(26)6-7-23(24)27-25(30)31/h2-7,16,21-22H,8-15,17H2,1H3,(H,27,31)
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n/an/an/an/a 0.760n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)

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


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM193825
PNG
(US9670209, Compound 324 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccc(C)cc12 |r,THB:13:12:11.5.6:8.9|
Show InChI InChI=1S/C23H35N3O/c1-4-27-10-9-19-12-21-7-8-22(13-19)25(21)15-18(3)16-26-23-11-17(2)5-6-20(23)14-24-26/h5-6,11,14,18-19,21-22H,4,7-10,12-13,15-16H2,1-3H3/t18-,19-,21+,22-/m1/s1
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n/an/an/an/a 0.790n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM193823
PNG
(US9670209, Compound 323 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES CCOCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12 |r,THB:13:12:11.5.6:8.9|
Show InChI InChI=1S/C22H33N3O/c1-3-26-11-10-18-12-20-8-9-21(13-18)24(20)15-17(2)16-25-22-7-5-4-6-19(22)14-23-25/h4-7,14,17-18,20-21H,3,8-13,15-16H2,1-2H3/t17-,18-,20+,21-/m1/s1
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n/an/an/an/a 0.790n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416141
PNG
(CHEMBL1083925)
Show SMILES C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClFN2O/c1-13-11-23-9-8-15(13)12-24-20(25)19-17(6-3-7-18(19)22)14-4-2-5-16(21)10-14/h2-7,10,13,15,23H,8-9,11-12H2,1H3,(H,24,25)/t13-,15+/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...

Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50263891
PNG
(5-Fluoro-1-[1'-(2-methyl-benzyl)-[1,4']bipiperidin...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-4-2-3-5-19(18)17-28-12-8-21(9-13-28)29-14-10-22(11-15-29)30-24-7-6-20(26)16-23(24)27-25(30)31/h2-7,16,21-22H,8-15,17H2,1H3,(H,27,31)
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n/an/an/an/a 0.850n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)

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


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50072214
PNG
((R)-3-[4-(3-Phenyl-prop-2-ynyloxy)-[1,2,5]thiadiaz...)
Show SMILES C(Oc1nsnc1[C@H]1CN2CCC1C2)C#Cc1ccccc1
Show InChI InChI=1S/C17H17N3OS/c1-2-5-13(6-3-1)7-4-10-21-17-16(18-22-19-17)15-12-20-9-8-14(15)11-20/h1-3,5-6,14-15H,8-12H2/t14?,15-/m0/s1
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n/an/an/an/a 0.990n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor

Bioorg Med Chem Lett 8: 2897-902 (1999)


BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50072224
PNG
((1R,5R,6S)-6-[4-(3-Phenyl-prop-2-ynylsulfanyl)-[1,...)
Show SMILES C(Sc1nsnc1[C@@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1
Show InChI InChI=1S/C18H19N3S2/c1-2-6-14(7-3-1)8-5-11-22-18-17(19-23-20-18)16-13-21-10-4-9-15(16)12-21/h1-3,6-7,15-16H,4,9-13H2/t15-,16+/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositide hydrolysis in A9L cells expressing human m1 receptor

Bioorg Med Chem Lett 8: 2897-902 (1999)


BindingDB Entry DOI: 10.7270/Q27M08GK
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM193834
PNG
(US9670209, Comparative compound 2)
Show SMILES CC(C)(C)OC(=O)N1C2CC[C@H]1C[C@@H](O)C2 |r,$_AV:13;11;14;15;4;;7;1;2;9;10;3;5;8;12;6$,THB:14:13:7:9.10|
Show InChI InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-5-9(13)7-10(14)6-8/h8-10,14H,4-7H2,1-3H3/t8-,9?,10+/m0/s1
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n/an/an/an/a 1n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50062577
PNG
(6-(4-Propylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-a...)
Show SMILES CCCSc1nsnc1OC1CN2CC1CCC2 |TLB:9:10:13:17.15.16|
Show InChI InChI=1S/C12H19N3OS2/c1-2-6-17-12-11(13-18-14-12)16-10-8-15-5-3-4-9(10)7-15/h9-10H,2-8H2,1H3
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n/an/an/an/a 1n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholi...

J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416738
PNG
(CHEMBL1223860)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
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 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416151
PNG
(CHEMBL1084850)
Show SMILES OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H24ClNO/c21-17-5-3-4-16(14-17)18-6-1-2-7-19(18)20(23)9-8-15-10-12-22-13-11-15/h1-7,14-15,20,22-23H,8-13H2
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...

Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50263936
PNG
(5-Fluoro-1-[1'-(2-trifluoromethyl-benzyl)-[1,4']bi...)
Show SMILES Fc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C25H28F4N4O/c26-18-5-6-23-22(15-18)30-24(34)33(23)20-9-13-32(14-10-20)19-7-11-31(12-8-19)16-17-3-1-2-4-21(17)25(27,28)29/h1-6,15,19-20H,7-14,16H2,(H,30,34)
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n/an/an/an/a 1.04n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)

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


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50263890
PNG
(4-Fluoro-1-[1'-(2-methyl-benzyl)-[1,4']bipiperidin...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cccc(F)c2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-5-2-3-6-19(18)17-28-13-9-20(10-14-28)29-15-11-21(12-16-29)30-23-8-4-7-22(26)24(23)27-25(30)31/h2-8,20-21H,9-17H2,1H3,(H,27,31)
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n/an/an/an/a 1.06n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)

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


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 1.10n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay

J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 1.10n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human M1 receptor expressed in CHO-K1 cells assessed as calcium mobilization for 6 mins by Calcium4-based staining

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


Article DOI: 10.1016/j.bmcl.2012.05.048
BindingDB Entry DOI: 10.7270/Q24M95MM
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50079583
PNG
((R)-3-(3-Hexylsulfanyl-pyrazin-2-yloxy)-1-aza-bicy...)
Show SMILES CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17|
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 1.10n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro functional agonism against M1 muscarinic receptor (PI)

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


BindingDB Entry DOI: 10.7270/Q2G161CX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50034655
PNG
(CHEMBL3360955)
Show SMILES O=c1[nH]nc2c1cn(Cc1ccc(cc1)-n1cccn1)c1ccccc21
Show InChI InChI=1S/C20H15N5O/c26-20-17-13-24(18-5-2-1-4-16(18)19(17)22-23-20)12-14-6-8-15(9-7-14)25-11-3-10-21-25/h1-11,13H,12H2,(H,23,26)
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n/an/an/an/a 1.20n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay

Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416739
PNG
(CHEMBL1223861)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;8.66,-12.17,;8.66,-13.71,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|
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 1.26n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C21H28FN3O/c1-3-8-26-20-10-18-6-7-19(11-20)24(18)13-15(2)14-25-21-9-17(22)5-4-16(21)12-23-25/h3-5,9,12,15,18-20H,1,6-8,10-11,13-14H2,2H3/t15-,18-,19+,20+/m1/s1
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n/an/an/an/a 1.30n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 1.30n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 1.30n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C23H33N3O/c1-16-3-6-19-12-24-26(23(19)9-16)14-17(2)13-25-20-7-8-21(25)11-22(10-20)27-15-18-4-5-18/h3,6,9,12,17-18,20-22H,4-5,7-8,10-11,13-15H2,1-2H3/t17-,20-,21+,22+/m1/s1
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n/an/an/an/a 1.30n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|
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 1.60n/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO-K1 cells assessed as increase of acetylcholine-induced calcium flux by FLIPR assay

J Med Chem 53: 6386-97 (2010)


Article DOI: 10.1021/jm100697g
BindingDB Entry DOI: 10.7270/Q2765G9K
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 1.60n/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK293 cells assessed as calcium mobilization by FLIPR assay

Bioorg Med Chem Lett 25: 1546-51 (2015)


Article DOI: 10.1016/j.bmcl.2015.02.012
BindingDB Entry DOI: 10.7270/Q2V69M8W
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50263893
PNG
(4-Fluoro-1-[1'-(2-trifluoromethyl-benzyl)-[1,4']bi...)
Show SMILES Fc1cccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c12
Show InChI InChI=1S/C25H28F4N4O/c26-21-6-3-7-22-23(21)30-24(34)33(22)19-10-14-32(15-11-19)18-8-12-31(13-9-18)16-17-4-1-2-5-20(17)25(27,28)29/h1-7,18-19H,8-16H2,(H,30,34)
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n/an/an/an/a 1.71n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)

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


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50492269
PNG
(CHEMBL594432)
Show SMILES COc1ccc(Cn2cc(C(O)=O)c(=O)c3c(F)ccc(F)c23)cc1
Show InChI InChI=1S/C18H13F2NO4/c1-25-11-4-2-10(3-5-11)8-21-9-12(18(23)24)17(22)15-13(19)6-7-14(20)16(15)21/h2-7,9H,8H2,1H3,(H,23,24)
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n/an/an/an/a 1.80n/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 acetylcholine receptor expressed CHO cells assessed as intracellular calcium mobilization after 1 hr by Fluo-...

J Med Chem 56: 5151-72 (2013)


Article DOI: 10.1021/jm400540b
BindingDB Entry DOI: 10.7270/Q2WS8X52
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50062570
PNG
(3-(4-Propylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-a...)
Show SMILES CCCSc1nsnc1OC1CN2CCC1C2 |THB:9:10:16:14.13|
Show InChI InChI=1S/C11H17N3OS2/c1-2-5-16-11-10(12-17-13-11)15-9-7-14-4-3-8(9)6-14/h8-9H,2-7H2,1H3
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n/an/an/an/a 1.90n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholi...

J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50062570
PNG
(3-(4-Propylsulfanyl-[1,2,5]thiadiazol-3-yloxy)-1-a...)
Show SMILES CCCSc1nsnc1OC1CN2CCC1C2 |THB:9:10:16:14.13|
Show InChI InChI=1S/C11H17N3OS2/c1-2-5-16-11-10(12-17-13-11)15-9-7-14-4-3-8(9)6-14/h8-9H,2-7H2,1H3
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n/an/an/an/a 1.90n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration required for stimulation of phosphoinositol (PI) hydrolysis in the A9 L cell line transfected with the Muscarinic acetylcholi...

J Med Chem 41: 379-92 (1998)


Article DOI: 10.1021/jm970125n
BindingDB Entry DOI: 10.7270/Q2SX6CBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM261732
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cn1 |r|
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...

US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50448377
PNG
(CHEMBL3121473)
Show SMILES C[N+](C)(C)CC#CCOC1=NOCC1 |t:9|
Show InChI InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1
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n/an/an/an/a 2n/an/an/an/a



University of W£rzburg

Curated by ChEMBL


Assay Description
Partial agonist activity at human muscarinic M1 acetylcholine receptor expressed in CHO cells assessed as increase in IP1 accumulation incubated for ...

J Med Chem 58: 560-76 (2015)


Article DOI: 10.1021/jm500860w
BindingDB Entry DOI: 10.7270/Q2125VCS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 2.10n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at muscarinic M1 receptor (unknown origin)

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


Article DOI: 10.1016/j.bmcl.2008.09.023
BindingDB Entry DOI: 10.7270/Q2708198
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50077547
PNG
(1-{4-[3-(3-Fluoro-phenyl)-prop-2-ynylsulfanyl]-[1,...)
Show SMILES Fc1cccc(c1)C#CCSc1nsnc1C12CN3CC1C2C3
Show InChI InChI=1S/C17H14FN3S2/c18-12-5-1-3-11(7-12)4-2-6-22-16-15(19-23-20-16)17-10-21-8-13(17)14(17)9-21/h1,3,5,7,13-14H,6,8-10H2
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n/an/an/an/a 2.5n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Stimulation of phosphoinositol hydrolysis in the mouse fibroblast cell line A9L-M1 expressing Muscarinic acetylcholine receptor M1.

J Med Chem 42: 1999-2006 (1999)


Article DOI: 10.1021/jm9910019
BindingDB Entry DOI: 10.7270/Q2XD12BT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416730
PNG
(CHEMBL1223940)
Show SMILES COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:5.4,8.8,(21.77,-.95,;21.02,-2.29,;19.48,-2.31,;18.72,-3.65,;17.18,-3.67,;16.43,-5.02,;14.89,-5.04,;14.13,-6.38,;14.92,-7.7,;13.38,-7.7,;16.47,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.37,;14.22,-11.71,;12.67,-11.73,;11.88,-10.42,;12.63,-9.07,;11.94,-13.09,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;6.46,-12.8,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.94,-15.61,;12.85,-14.35,;14.39,-14.35,)|
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 2.51n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416729
PNG
(CHEMBL1223939)
Show SMILES CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:4.3,7.7,(21.01,-2.29,;19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.68,-11.46,;7.22,-11.46,)|
Show InChI InChI=1S/C23H34N2O5S/c1-4-15-29-18-7-11-23(2,12-8-18)24-13-9-17(10-14-24)25-20-16-19(31(3,27)28)5-6-21(20)30-22(25)26/h5-6,16-18H,4,7-15H2,1-3H3/t18-,23-
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n/an/an/an/a 2.51n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416725
PNG
(CHEMBL1223862)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|
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 2.51n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM261732
PNG
(1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-py...)
Show SMILES Cn1cc(cn1)-c1ccc(Cc2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c(F)c3ccccc23)cn1 |r|
Show InChI InChI=1S/C26H25FN4O3/c1-31-14-18(13-29-31)22-7-6-16(12-28-22)10-17-11-21(25(27)20-5-3-2-4-19(17)20)26(33)30-23-8-9-34-15-24(23)32/h2-7,11-14,23-24,32H,8-10,15H2,1H3,(H,30,33)/t23-,24-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



HOFFMANN-LA-ROCHE INC.

US Patent


Assay Description
The assay is designed to select compounds that possess modulator activity at the acetylcholine muscarinic receptor expressed in CHO cells by measurin...

US Patent US9708302 (2017)


BindingDB Entry DOI: 10.7270/Q2BV7JMP
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416726
PNG
(CHEMBL1223863)
Show SMILES CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|
Show InChI InChI=1S/C22H29N3O3/c1-3-27-18-6-10-22(2,11-7-18)24-12-8-17(9-13-24)25-19-14-16(15-23)4-5-20(19)28-21(25)26/h4-5,14,17-18H,3,6-13H2,1-2H3/t18-,22-
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416735
PNG
(CHEMBL1223805)
Show SMILES CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:2.1,5.5,(18.25,.07,;16.71,.05,;15.95,-1.29,;14.41,-1.31,;13.66,-2.66,;14.45,-3.97,;12.9,-3.97,;15.99,-3.95,;16.74,-2.62,;13.69,-5.31,;14.48,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.15,-5.34,;11.46,-9.36,;12.37,-10.62,;13.91,-10.62,;11.46,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.83,)|
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 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on calcium mobilization by FLIPR assay

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


Article DOI: 10.1016/j.bmcl.2010.07.097
BindingDB Entry DOI: 10.7270/Q2MG7QR7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM50416140
PNG
(CHEMBL1083618)
Show SMILES Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|
Show InChI InChI=1S/C19H18ClFN2O/c20-15-4-1-3-14(11-15)16-5-2-6-17(21)18(16)19(24)23-12-13-7-9-22-10-8-13/h1-7,11,22H,8-10,12H2,(H,23,24)
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n/an/an/an/a 3.16n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium level by FL...

Bioorg Med Chem Lett 20: 3545-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.127
BindingDB Entry DOI: 10.7270/Q2QF8V4S
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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 |r,THB:2:3:8.9.10:5.6|
Show InChI InChI=1S/C22H31N3O/c1-16(14-25-22-5-3-2-4-18(22)12-23-25)13-24-19-8-9-20(24)11-21(10-19)26-15-17-6-7-17/h2-5,12,16-17,19-21H,6-11,13-15H2,1H3/t16-,19-,20+,21+/m1/s1
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n/an/an/an/a 3.20n/an/an/a25



ACADIA PHARMACEUTICALS INC.; ALLERGAN, INC.

US Patent


Assay Description
Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-Gal...

US Patent US9670209 (2017)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))		BDBM193785
PNG
(US9670209, Compound 303 1-((R)-3-((1R,3R,5S)-3-(2-...)
Show SMILES COCC[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@@H](C)Cn1ncc2ccccc12 |r,THB:12:11:10.4.5:7.8|
Show InChI InChI=1S/C21H31N3O/c1-16(15-24-21-6-4-3-5-18(21)13-22-24)14-23-19-7-8-20(23)12-17(11-19)9-10-25-2/h3-6,13,16-17,19-20H,7-12,14-15H2,1-2H3/t16-,17-,19+,20-/m1/s1
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n/an/an/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q2MS3QX2
More data for this
Ligand-Target Pair
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