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Patent code US10030012

Compile Data Set for Download or QSAR
Found 100 hits of Enzyme Inhibition Constant Data   
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 M4


(HUMAN M3)
BDBM280372
PNG
(US10030012, Example 2 | ethyl 4-(4-{1- [(cyclohexy...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC(=O)NC1CCCCC1
Show InChI InChI=1S/C25H41N5O3/c1-2-33-25(32)29-14-6-9-22(12-17-29)28-15-10-20(11-16-28)24-26-13-18-30(24)19-23(31)27-21-7-4-3-5-8-21/h13,18,20-22H,2-12,14-17,19H2,1H3,(H,27,31)
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280375
PNG
(US10030012, Example 5 | ethyl 4-{4-[5-(4- chloroph...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H31ClN4O2/c1-2-30-23(29)27-14-3-4-20(10-17-27)26-15-11-21(12-16-26)28-22(9-13-25-28)18-5-7-19(24)8-6-18/h5-9,13,20-21H,2-4,10-12,14-17H2,1H3
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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280385
PNG
(US10030012, Example 15 | ethyl 4-(4-(5- isopropyl-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nnc(o1)C(C)C
Show InChI InChI=1S/C19H32N4O3/c1-4-25-19(24)23-10-5-6-16(9-13-23)22-11-7-15(8-12-22)18-21-20-17(26-18)14(2)3/h14-16H,4-13H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280393
PNG
(US10030012, Example 23 | ethyl 4-{4-[5- (methoxy- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1COC
Show InChI InChI=1S/C19H32N4O3/c1-3-26-19(24)22-11-4-5-16(7-14-22)21-12-8-17(9-13-21)23-18(15-25-2)6-10-20-23/h6,10,16-17H,3-5,7-9,11-15H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280398
PNG
(US10030012, Example 28 | ethyl 4-{4-[5- (acetamido...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1CNC(C)=O
Show InChI InChI=1S/C20H33N5O3/c1-3-28-20(27)24-11-4-5-17(7-14-24)23-12-8-18(9-13-23)25-19(6-10-22-25)15-21-16(2)26/h6,10,17-18H,3-5,7-9,11-15H2,1-2H3,(H,21,26)
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280402
PNG
(US10030012, Example 32 | ethyl 4-[4-(6- methoxypyr...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OC)n1
Show InChI InChI=1S/C19H29N3O3/c1-3-25-19(23)22-13-9-16(10-14-22)21-11-7-15(8-12-21)17-5-4-6-18(20-17)24-2/h4-6,15-16H,3,7-14H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280413
PNG
(US10030012, Example 43 | ethyl 4-{4-[2- methoxy-5-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(cnc1OC)C(F)(F)F
Show InChI InChI=1S/C21H30F3N3O3/c1-3-30-20(28)27-9-4-5-17(8-12-27)26-10-6-15(7-11-26)18-13-16(21(22,23)24)14-25-19(18)29-2/h13-15,17H,3-12H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280417
PNG
(US10030012, Example 47 | ethyl 4-[4-(2- ethoxy-5-m...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
Show InChI InChI=1S/C21H33N3O3/c1-4-26-20-19(14-16(3)15-22-20)17-6-10-23(11-7-17)18-8-12-24(13-9-18)21(25)27-5-2/h14-15,17-18H,4-13H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280425
PNG
(US10030012, Example 55 | ethyl 4-{4-[2- (propan-2-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(C)C
Show InChI InChI=1S/C22H35N3O3/c1-4-27-22(26)25-13-6-7-19(11-16-25)24-14-9-18(10-15-24)20-8-5-12-23-21(20)28-17(2)3/h5,8,12,17-19H,4,6-7,9-11,13-16H2,1-3H3
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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280428
PNG
(US10030012, Example 58 | ethyl 4-[4-(5- chloro-2- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(Cl)cnc1OC
Show InChI InChI=1S/C20H30ClN3O3/c1-3-27-20(25)24-9-4-5-17(8-12-24)23-10-6-15(7-11-23)18-13-16(21)14-22-19(18)26-2/h13-15,17H,3-12H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280435
PNG
(US10030012, Example 65 | ethyl 4-{4-[2- (dimethyla...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1N(C)C
Show InChI InChI=1S/C21H34N4O2/c1-4-27-21(26)25-13-6-7-18(11-16-25)24-14-9-17(10-15-24)19-8-5-12-22-20(19)23(2)3/h5,8,12,17-18H,4,6-7,9-11,13-16H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280440
PNG
(US10030012, Example 70 | ethyl 4-[4-(2- ethylpyrid...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1CC
Show InChI InChI=1S/C21H33N3O2/c1-3-20-19(8-5-12-22-20)17-9-14-23(15-10-17)18-7-6-13-24(16-11-18)21(25)26-4-2/h5,8,12,17-18H,3-4,6-7,9-11,13-16H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280451
PNG
(US10030012, Example 81 | ethyl (4S)-4-[4- (1H-pyra...)
Show SMILES CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)n1cccn1
Show InChI InChI=1S/C17H28N4O2/c1-2-23-17(22)20-10-3-5-15(6-14-20)19-12-7-16(8-13-19)21-11-4-9-18-21/h4,9,11,15-16H,2-3,5-8,10,12-14H2,1H3/t15-/m0/s1
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280371
PNG
(US10030012, Example 1 | ethyl 4-[4- (1-methyl- 1H-...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccn1C
Show InChI InChI=1S/C17H28N4O2/c1-3-23-17(22)21-11-6-15(7-12-21)20-9-4-14(5-10-20)16-18-8-13-19(16)2/h8,13-15H,3-7,9-12H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280377
PNG
(US10030012, Example 7 | ethyl 4-{4-[5-(1- methyl-1...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccnn1C
Show InChI InChI=1S/C21H32N6O2/c1-3-29-21(28)26-13-4-5-17(8-16-26)25-14-9-18(10-15-25)27-20(7-12-23-27)19-6-11-22-24(19)2/h6-7,11-12,17-18H,3-5,8-10,13-16H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280378
PNG
(US10030012, Example 8 | ethyl 4-{4-[4-(4- chloroph...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H31ClN4O2/c1-2-30-23(29)27-12-3-4-21(9-15-27)26-13-10-22(11-14-26)28-17-19(16-25-28)18-5-7-20(24)8-6-18/h5-8,16-17,21-22H,2-4,9-15H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280394
PNG
(US10030012, Example 24 | ethyl 4-(4-{5- [(cyclopro...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(=O)NCC1CC1
Show InChI InChI=1S/C22H35N5O3/c1-2-30-22(29)26-12-3-4-18(8-15-26)25-13-9-19(10-14-25)27-20(7-11-24-27)21(28)23-16-17-5-6-17/h7,11,17-19H,2-6,8-10,12-16H2,1H3,(H,23,28)
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280404
PNG
(US10030012, Example 34 | ethyl 4-[4-(2- methoxypyr...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccnc1OC
Show InChI InChI=1S/C19H29N3O3/c1-3-25-19(23)22-13-8-16(9-14-22)21-11-6-15(7-12-21)17-5-4-10-20-18(17)24-2/h4-5,10,15-16H,3,6-9,11-14H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280408
PNG
(US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280415
PNG
(US10030012, Example 45 | ethyl 4-[4-(5- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncc(OC)c1
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-9-4-5-18(8-12-23)22-10-6-16(7-11-22)17-13-19(25-2)15-21-14-17/h13-16,18H,3-12H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280431
PNG
(US10030012, Example 61 | ethyl 4-(4-{2- [1-(propan...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1cnn(c1)C(C)C
Show InChI InChI=1S/C25H37N5O2/c1-4-32-25(31)29-13-6-7-22(11-16-29)28-14-9-20(10-15-28)23-8-5-12-26-24(23)21-17-27-30(18-21)19(2)3/h5,8,12,17-20,22H,4,6-7,9-11,13-16H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280439
PNG
(US10030012, Example 69 | ethyl 4-{4-[5- (trifluoro...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(F)(F)F
Show InChI InChI=1S/C18H27F3N4O2/c1-2-27-17(26)24-10-3-4-14(6-13-24)23-11-7-15(8-12-23)25-16(5-9-22-25)18(19,20)21/h5,9,14-15H,2-4,6-8,10-13H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280442
PNG
(US10030012, Example 72 | ethyl 4-[4-(6- ethoxypyri...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1
Show InChI InChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3
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n/an/an/an/a 2.02E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280444
PNG
(US10030012, Example 74 | ethyl 4-[4- (pyrimidin-2-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C18H28N4O2/c1-2-24-18(23)22-11-3-5-16(8-14-22)21-12-6-15(7-13-21)17-19-9-4-10-20-17/h4,9-10,15-16H,2-3,5-8,11-14H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280445
PNG
(US10030012, Example 75 | ethyl 4-[4-(4- methylpyri...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncnc1C
Show InChI InChI=1S/C19H30N4O2/c1-3-25-19(24)23-9-4-5-17(8-12-23)22-10-6-16(7-11-22)18-13-20-14-21-15(18)2/h13-14,16-17H,3-12H2,1-2H3
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n/an/an/an/a 1.01E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280373
PNG
(US10030012, Example 3 | ethyl 4-[4-(1H- pyrrol-1- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccc1
Show InChI InChI=1S/C18H29N3O2/c1-2-23-18(22)21-12-5-6-16(9-15-21)20-13-7-17(8-14-20)19-10-3-4-11-19/h3-4,10-11,16-17H,2,5-9,12-15H2,1H3
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n/an/an/an/a 330n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280374
PNG
(US10030012, Example 4 | ethyl 4-[4-(1H- pyrazol-1-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccn1
Show InChI InChI=1S/C17H28N4O2/c1-2-23-17(22)20-10-3-5-15(6-14-20)19-12-7-16(8-13-19)21-11-4-9-18-21/h4,9,11,15-16H,2-3,5-8,10,12-14H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280382
PNG
(US10030012, Example 12 | ethyl 4-[4-(5- methyl-1H-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)21-11-4-5-16(7-14-21)20-12-8-17(9-13-20)22-15(2)6-10-19-22/h6,10,16-17H,3-5,7-9,11-14H2,1-2H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280387
PNG
(US10030012, Example 17 | ethyl 4-{4-[3- (thiophen-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
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n/an/an/an/a 810n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280390
PNG
(US10030012, Example 20 | ethyl 4-[4-(5- cyclopropy...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C1CC1
Show InChI InChI=1S/C20H32N4O2/c1-2-26-20(25)23-12-3-4-17(8-15-23)22-13-9-18(10-14-22)24-19(7-11-21-24)16-5-6-16/h7,11,16-18H,2-6,8-10,12-15H2,1H3
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n/an/an/an/a 2.26E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280397
PNG
(US10030012, Example 27 | ethyl 4-[4-(5- cyano-1H- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C#N
Show InChI InChI=1S/C18H27N5O2/c1-2-25-18(24)22-10-3-4-15(6-13-22)21-11-7-16(8-12-21)23-17(14-19)5-9-20-23/h5,9,15-16H,2-4,6-8,10-13H2,1H3
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n/an/an/an/a 320n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280405
PNG
(US10030012, Example 35 | ethyl 4-[4-(2- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)18-7-4-11-21-19(18)25-2/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280413
PNG
(US10030012, Example 43 | ethyl 4-{4-[2- methoxy-5-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(cnc1OC)C(F)(F)F
Show InChI InChI=1S/C21H30F3N3O3/c1-3-30-20(28)27-9-4-5-17(8-12-27)26-10-6-15(7-11-26)18-13-16(21(22,23)24)14-25-19(18)29-2/h13-15,17H,3-12H2,1-2H3
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n/an/an/an/a 180n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280418
PNG
(US10030012, Example 48 | ethyl 4-[4-(4- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cnccc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-11-4-5-17(9-14-23)22-12-7-16(8-13-22)18-15-21-10-6-19(18)25-2/h6,10,15-17H,3-5,7-9,11-14H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280422
PNG
(US10030012, Example 52 | ethyl 4-{4-[2- (difluoro-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F
Show InChI InChI=1S/C20H29F2N3O3/c1-2-27-20(26)25-11-4-5-16(9-14-25)24-12-7-15(8-13-24)17-6-3-10-23-18(17)28-19(21)22/h3,6,10,15-16,19H,2,4-5,7-9,11-14H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280426
PNG
(US10030012, Example 56 | ethyl 4-{4-[1- (cyanometh...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(CC#N)c1=O
Show InChI InChI=1S/C21H30N4O3/c1-2-28-21(27)25-12-3-5-18(9-15-25)23-13-7-17(8-14-23)19-6-4-11-24(16-10-22)20(19)26/h4,6,11,17-18H,2-3,5,7-9,12-16H2,1H3
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n/an/an/an/a 2.35E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280442
PNG
(US10030012, Example 72 | ethyl 4-[4-(6- ethoxypyri...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccc(OCC)n1
Show InChI InChI=1S/C20H31N3O3/c1-3-25-19-7-5-6-18(21-19)16-8-12-22(13-9-16)17-10-14-23(15-11-17)20(24)26-4-2/h5-7,16-17H,3-4,8-15H2,1-2H3
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n/an/an/an/a 270n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280443
PNG
(US10030012, Example 73 | ethyl 4-{4-[2- (1-methyl-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1cnn(C)c1
Show InChI InChI=1S/C23H33N5O2/c1-3-30-23(29)28-12-5-6-20(10-15-28)27-13-8-18(9-14-27)21-7-4-11-24-22(21)19-16-25-26(2)17-19/h4,7,11,16-18,20H,3,5-6,8-10,12-15H2,1-2H3
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n/an/an/an/a 650n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280447
PNG
(US10030012, Example 77 | ethyl 4-{4-[2- (2-methyl-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1CC(C)C
Show InChI InChI=1S/C23H37N3O2/c1-4-28-23(27)26-13-6-7-20(11-16-26)25-14-9-19(10-15-25)21-8-5-12-24-22(21)17-18(2)3/h5,8,12,18-20H,4,6-7,9-11,13-17H2,1-3H3
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n/an/an/an/a 670n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280448
PNG
(US10030012, Example 78 | methyl 4-{[3- (3,5-dimeth...)
Show SMILES COC(=O)N1CCC(CN2CCC(C2)n2nc(C)cc2C)CC1
Show InChI InChI=1S/C17H28N4O2/c1-13-10-14(2)21(18-13)16-6-7-19(12-16)11-15-4-8-20(9-5-15)17(22)23-3/h10,15-16H,4-9,11-12H2,1-3H3
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n/an/an/an/a 2.68E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280452
PNG
(US10030012, Example 82 | ethyl (4R)-4-[4- (1H-pyra...)
Show SMILES CCOC(=O)N1CCC[C@H](CC1)N1CCC(CC1)n1cccn1
Show InChI InChI=1S/C17H28N4O2/c1-2-23-17(22)20-10-3-5-15(6-14-20)19-12-7-16(8-13-19)21-11-4-9-18-21/h4,9,11,15-16H,2-3,5-8,10,12-14H2,1H3/t15-/m1/s1
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n/an/an/an/a 460n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280454
PNG
(US10030012, Example 85 | ethyl (4S)-4-[4- (2-metho...)
Show SMILES CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1cccnc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)18-7-4-11-21-19(18)25-2/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3/t17-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280379
PNG
(US10030012, Example 9 | ethyl 4-[4-(1- methyl-1H- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1C
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)22-10-4-5-16(8-13-22)21-11-6-15(7-12-21)17-19-9-14-20(17)2/h9,14-16H,3-8,10-13H2,1-2H3
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n/an/an/an/a 1.05E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280381
PNG
(US10030012, Example 11 | ethyl 4-[4-(1- propyl-1H-...)
Show SMILES CCCn1ccnc1C1CCN(CC1)C1CCCN(CC1)C(=O)OCC
Show InChI InChI=1S/C20H34N4O2/c1-3-11-23-16-10-21-19(23)17-7-13-22(14-8-17)18-6-5-12-24(15-9-18)20(25)26-4-2/h10,16-18H,3-9,11-15H2,1-2H3
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n/an/an/an/a 960n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280390
PNG
(US10030012, Example 20 | ethyl 4-[4-(5- cyclopropy...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C1CC1
Show InChI InChI=1S/C20H32N4O2/c1-2-26-20(25)23-12-3-4-17(8-15-23)22-13-9-18(10-14-22)24-19(7-11-21-24)16-5-6-16/h7,11,16-18H,2-6,8-10,12-15H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280391
PNG
(US10030012, Example 21 | ethyl 4-{4-[5- (dimethyl-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(=O)N(C)C
Show InChI InChI=1S/C20H33N5O3/c1-4-28-20(27)24-12-5-6-16(8-15-24)23-13-9-17(10-14-23)25-18(7-11-21-25)19(26)22(2)3/h7,11,16-17H,4-6,8-10,12-15H2,1-3H3
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n/an/an/an/a 2.68E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280419
PNG
(US10030012, Example 49 | ethyl 4-{4-[3- (dimethyla...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccnc1N(C)C
Show InChI InChI=1S/C20H33N5O2/c1-4-27-20(26)25-12-5-6-17(9-15-25)24-13-7-16(8-14-24)18-19(23(2)3)22-11-10-21-18/h10-11,16-17H,4-9,12-15H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280427
PNG
(US10030012, Example 57 | ethyl 4-[4-(1- ethyl-2-ox...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(CC)c1=O
Show InChI InChI=1S/C21H33N3O3/c1-3-22-12-6-8-19(20(22)25)17-9-14-23(15-10-17)18-7-5-13-24(16-11-18)21(26)27-4-2/h6,8,12,17-18H,3-5,7,9-11,13-16H2,1-2H3
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n/an/an/an/a 890n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280432
PNG
(US10030012, Example 62 | ethyl 4-{4-[2- (methylami...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1NC
Show InChI InChI=1S/C20H32N4O2/c1-3-26-20(25)24-12-5-6-17(10-15-24)23-13-8-16(9-14-23)18-7-4-11-22-19(18)21-2/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3,(H,21,22)
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280433
PNG
(US10030012, Example 63 | ethyl 4-[4-(5- methoxy-2-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(C)ncc1OC
Show InChI InChI=1S/C20H32N4O3/c1-4-27-20(25)24-10-5-6-17(9-13-24)23-11-7-16(8-12-23)19-18(26-3)14-21-15(2)22-19/h14,16-17H,4-13H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280437
PNG
(US10030012, Example 67 | ethyl 4-(4-{2- [(cyclopro...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1NCC1CC1
Show InChI InChI=1S/C23H36N4O2/c1-2-29-23(28)27-13-4-5-20(11-16-27)26-14-9-19(10-15-26)21-6-3-12-24-22(21)25-17-18-7-8-18/h3,6,12,18-20H,2,4-5,7-11,13-17H2,1H3,(H,24,25)
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n/an/an/an/a 990n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280438
PNG
(US10030012, Example 68 | ethyl 4-[4-(1,3- thiazol-...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccs1
Show InChI InChI=1S/C16H25N3O2S/c1-2-21-16(20)19-10-5-14(6-11-19)18-8-3-13(4-9-18)15-17-7-12-22-15/h7,12-14H,2-6,8-11H2,1H3
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n/an/an/an/a 540n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280444
PNG
(US10030012, Example 74 | ethyl 4-[4- (pyrimidin-2-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccn1
Show InChI InChI=1S/C18H28N4O2/c1-2-24-18(23)22-11-3-5-16(8-14-22)21-12-6-15(7-13-21)17-19-9-4-10-20-17/h4,9-10,15-16H,2-3,5-8,11-14H2,1H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280382
PNG
(US10030012, Example 12 | ethyl 4-[4-(5- methyl-1H-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)21-11-4-5-16(7-14-21)20-12-8-17(9-13-20)22-15(2)6-10-19-22/h6,10,16-17H,3-5,7-9,11-14H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280406
PNG
(US10030012, Example 36 | ethyl 4-[4-(2- methylpyri...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1ccnc(C)n1
Show InChI InChI=1S/C18H28N4O2/c1-3-24-18(23)22-12-7-16(8-13-22)21-10-5-15(6-11-21)17-4-9-19-14(2)20-17/h4,9,15-16H,3,5-8,10-13H2,1-2H3
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n/an/an/an/a 6.73E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280408
PNG
(US10030012, Example 38 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)19-18(25-2)7-4-11-21-19/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3
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n/an/an/an/a 160n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280422
PNG
(US10030012, Example 52 | ethyl 4-{4-[2- (difluoro-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(F)F
Show InChI InChI=1S/C20H29F2N3O3/c1-2-27-20(26)25-11-4-5-16(9-14-25)24-12-7-15(8-13-24)17-6-3-10-23-18(17)28-19(21)22/h3,6,10,15-16,19H,2,4-5,7-9,11-14H2,1H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280423
PNG
(US10030012, Example 53 | ethyl 4-[4-(2- ethoxypyri...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCC
Show InChI InChI=1S/C21H33N3O3/c1-3-26-20-19(8-5-12-22-20)17-9-14-23(15-10-17)18-7-6-13-24(16-11-18)21(25)27-4-2/h5,8,12,17-18H,3-4,6-7,9-11,13-16H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280436
PNG
(US10030012, Example 66 | ethyl 4-[4-(2- cyclopropy...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1C1CC1
Show InChI InChI=1S/C22H33N3O2/c1-2-27-22(26)25-13-4-5-19(11-16-25)24-14-9-17(10-15-24)20-6-3-12-23-21(20)18-7-8-18/h3,6,12,17-19H,2,4-5,7-11,13-16H2,1H3
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n/an/an/an/a 120n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280439
PNG
(US10030012, Example 69 | ethyl 4-{4-[5- (trifluoro...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1C(F)(F)F
Show InChI InChI=1S/C18H27F3N4O2/c1-2-27-17(26)24-10-3-4-14(6-13-24)23-11-7-15(8-12-23)25-16(5-9-22-25)18(19,20)21/h5,9,14-15H,2-4,6-8,10-13H2,1H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280441
PNG
(US10030012, Example 71 | ethyl 4-[4-(4- methoxy- p...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nnccc1OC
Show InChI InChI=1S/C19H30N4O3/c1-3-26-19(24)23-11-4-5-16(9-14-23)22-12-7-15(8-13-22)18-17(25-2)6-10-20-21-18/h6,10,15-16H,3-5,7-9,11-14H2,1-2H3
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n/an/an/an/a 1.05E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280376
PNG
(US10030012, Example 6 | ethyl 4-[4-(1H- pyrazol-3-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc[nH]n1
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n/an/an/an/a 190n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280380
PNG
(US10030012, Example 10 | ethyl 4-[4- (1-ethyl- 1H-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC
Show InChI InChI=1S/C19H32N4O2/c1-3-21-15-10-20-18(21)16-7-12-22(13-8-16)17-6-5-11-23(14-9-17)19(24)25-4-2/h10,15-17H,3-9,11-14H2,1-2H3
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n/an/an/an/a 1.74E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280386
PNG
(US10030012, Example 16 | ethyl 4-[4- (3-methyl- 1H...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1ccc(C)n1
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)21-10-4-5-16(7-13-21)20-11-8-17(9-12-20)22-14-6-15(2)19-22/h6,14,16-17H,3-5,7-13H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280388
PNG
(US10030012, Example 18 | ethyl 4-{4-[4-(4- fluorop...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cc(cn1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H31FN4O2/c1-2-30-23(29)27-12-3-4-21(9-15-27)26-13-10-22(11-14-26)28-17-19(16-25-28)18-5-7-20(24)8-6-18/h5-8,16-17,21-22H,2-4,9-15H2,1H3
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n/an/an/an/a 410n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280395
PNG
(US10030012, Example 25 | ethyl 4-{4-[5- (dimethyl-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1sc(C)nc1C
Show InChI InChI=1S/C22H33N5O2S/c1-4-29-22(28)26-12-5-6-18(8-15-26)25-13-9-19(10-14-25)27-20(7-11-23-27)21-16(2)24-17(3)30-21/h7,11,18-19H,4-6,8-10,12-15H2,1-3H3
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n/an/an/an/a 270n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280399
PNG
(US10030012, Example 29 | ethyl 4-{[3- (1H-pyrazol-...)
Show SMILES CCOC(=O)N1CCC(CN2CC(C2)n2cccn2)CC1
Show InChI InChI=1S/C15H24N4O2/c1-2-21-15(20)18-8-4-13(5-9-18)10-17-11-14(12-17)19-7-3-6-16-19/h3,6-7,13-14H,2,4-5,8-12H2,1H3
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n/an/an/an/a 1.83E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280400
PNG
(US10030012, Example 30 | ethyl 4- [4-(pyridin- 4-y...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccncc1
Show InChI InChI=1S/C19H29N3O2/c1-2-24-19(23)22-12-3-4-18(9-15-22)21-13-7-17(8-14-21)16-5-10-20-11-6-16/h5-6,10-11,17-18H,2-4,7-9,12-15H2,1H3
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n/an/an/an/a 1.66E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280401
PNG
(US10030012, Example 31 | ethyl 4- [4-(pyridin-4- y...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1ccncc1
Show InChI InChI=1S/C18H27N3O2/c1-2-23-18(22)21-13-7-17(8-14-21)20-11-5-16(6-12-20)15-3-9-19-10-4-15/h3-4,9-10,16-17H,2,5-8,11-14H2,1H3
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n/an/an/an/a 2.26E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280407
PNG
(US10030012, Example 37 | ethyl 4-[4-(4,6- dimethox...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nc(OC)cc(OC)n1
Show InChI InChI=1S/C19H30N4O4/c1-4-27-19(24)23-11-7-15(8-12-23)22-9-5-14(6-10-22)18-20-16(25-2)13-17(21-18)26-3/h13-15H,4-12H2,1-3H3
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n/an/an/an/a 3.34E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280410
PNG
(US10030012, Example 40 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccnc1OC
Show InChI InChI=1S/C19H30N4O3/c1-3-26-19(24)23-11-4-5-16(8-14-23)22-12-6-15(7-13-22)17-18(25-2)21-10-9-20-17/h9-10,15-16H,3-8,11-14H2,1-2H3
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n/an/an/an/a 140n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280416
PNG
(US10030012, Example 46 | ethyl 4-[4-(2- methylpyri...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1cccnc1C
Show InChI InChI=1S/C19H29N3O2/c1-3-24-19(23)22-13-8-17(9-14-22)21-11-6-16(7-12-21)18-5-4-10-20-15(18)2/h4-5,10,16-17H,3,6-9,11-14H2,1-2H3
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n/an/an/an/a 1.55E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280425
PNG
(US10030012, Example 55 | ethyl 4-{4-[2- (propan-2-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OC(C)C
Show InChI InChI=1S/C22H35N3O3/c1-4-27-22(26)25-13-6-7-19(11-16-25)24-14-9-18(10-15-24)20-8-5-12-23-21(20)28-17(2)3/h5,8,12,17-19H,4,6-7,9-11,13-16H2,1-3H3
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n/an/an/an/a 130n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280429
PNG
(US10030012, Example 59 | ethyl 4-[4-(3,6- dimethyl...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(C)cnc1C
Show InChI InChI=1S/C20H32N4O2/c1-4-26-20(25)24-10-5-6-18(9-13-24)23-11-7-17(8-12-23)19-16(3)21-14-15(2)22-19/h14,17-18H,4-13H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280446
PNG
(US10030012, Example 76 | ethyl 4-{4-[2- (1,3-thiaz...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cscn1
Show InChI InChI=1S/C23H32N4O3S/c1-2-29-23(28)27-11-4-5-20(9-14-27)26-12-7-18(8-13-26)21-6-3-10-24-22(21)30-15-19-16-31-17-25-19/h3,6,10,16-18,20H,2,4-5,7-9,11-15H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280450
PNG
(US10030012, Example 80 | ethyl 4-{4-[2- (1,3-oxazo...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1ncco1
Show InChI InChI=1S/C22H30N4O3/c1-2-28-22(27)26-12-4-5-18(9-15-26)25-13-7-17(8-14-25)19-6-3-10-23-20(19)21-24-11-16-29-21/h3,6,10-11,16-18H,2,4-5,7-9,12-15H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280373
PNG
(US10030012, Example 3 | ethyl 4-[4-(1H- pyrrol-1- ...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1cccc1
Show InChI InChI=1S/C18H29N3O2/c1-2-23-18(22)21-12-5-6-16(9-15-21)20-13-7-17(8-14-20)19-10-3-4-11-19/h3-4,10-11,16-17H,2,5-9,12-15H2,1H3
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n/an/an/an/a 1.54E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280377
PNG
(US10030012, Example 7 | ethyl 4-{4-[5-(1- methyl-1...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccnn1C
Show InChI InChI=1S/C21H32N6O2/c1-3-29-21(28)26-13-4-5-17(8-16-26)25-14-9-18(10-15-25)27-20(7-12-23-27)19-6-11-22-24(19)2/h6-7,11-12,17-18H,3-5,8-10,13-16H2,1-2H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280384
PNG
(US10030012, Example 14 | ethyl 4-[4-(1- methyl-1H-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccnn1C
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)22-11-4-5-16(9-14-22)21-12-7-15(8-13-21)17-6-10-19-20(17)2/h6,10,15-16H,3-5,7-9,11-14H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280396
PNG
(US10030012, Example 26 | ethyl 4-[4-(1,3- thiazol-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccs1
Show InChI InChI=1S/C17H27N3O2S/c1-2-22-17(21)20-9-3-4-15(7-12-20)19-10-5-14(6-11-19)16-18-8-13-23-16/h8,13-15H,2-7,9-12H2,1H3
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n/an/an/an/a 130n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280414
PNG
(US10030012, Example 44 | ethyl 4-[4-(3- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1ccncc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-11-4-5-17(9-14-23)22-12-7-16(8-13-22)18-6-10-21-15-19(18)25-2/h6,10,15-17H,3-5,7-9,11-14H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280424
PNG
(US10030012, Example 54 | ethyl 4-(4-{2-[(3- methyl...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1OCc1cc(C)no1
Show InChI InChI=1S/C24H34N4O4/c1-3-30-24(29)28-12-5-6-20(10-15-28)27-13-8-19(9-14-27)22-7-4-11-25-23(22)31-17-21-16-18(2)26-32-21/h4,7,11,16,19-20H,3,5-6,8-10,12-15,17H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280430
PNG
(US10030012, Example 60 | ethyl 4-{4-[5- methoxy-2-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nc(ncc1OC)C(F)(F)F
Show InChI InChI=1S/C20H29F3N4O3/c1-3-30-19(28)27-9-4-5-15(8-12-27)26-10-6-14(7-11-26)17-16(29-2)13-24-18(25-17)20(21,22)23/h13-15H,3-12H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280434
PNG
(US10030012, Example 64 | ethyl 4-{4-[2- (1-methyl-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1-c1ccnn1C
Show InChI InChI=1S/C23H33N5O2/c1-3-30-23(29)28-14-5-6-19(11-17-28)27-15-9-18(10-16-27)20-7-4-12-24-22(20)21-8-13-25-26(21)2/h4,7-8,12-13,18-19H,3,5-6,9-11,14-17H2,1-2H3
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n/an/an/an/a 3.14E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280449
PNG
(US10030012, Example 79 | ethyl 4-{[3-(3,5- dimethy...)
Show SMILES CCOC(=O)N1CCC(CN2CCC(C2)n2nc(C)cc2C)CC1
Show InChI InChI=1S/C18H30N4O2/c1-4-24-18(23)21-9-5-16(6-10-21)12-20-8-7-17(13-20)22-15(3)11-14(2)19-22/h11,16-17H,4-10,12-13H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280453
PNG
(US10030012, Example 83 | ethyl (4S)-4-[4- (1-methy...)
Show SMILES CCOC(=O)N1CCC[C@@H](CC1)N1CCC(CC1)c1nccn1C
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)22-10-4-5-16(8-13-22)21-11-6-15(7-12-21)17-19-9-14-20(17)2/h9,14-16H,3-8,10-13H2,1-2H3/t16-/m0/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280455
PNG
(US10030012, Example 86 | ethyl (4R)-4-[4- (2-metho...)
Show SMILES CCOC(=O)N1CCC[C@H](CC1)N1CCC(CC1)c1cccnc1OC
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(10-15-23)22-13-8-16(9-14-22)18-7-4-11-21-19(18)25-2/h4,7,11,16-17H,3,5-6,8-10,12-15H2,1-2H3/t17-/m1/s1
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280371
PNG
(US10030012, Example 1 | ethyl 4-[4- (1-methyl- 1H-...)
Show SMILES CCOC(=O)N1CCC(CC1)N1CCC(CC1)c1nccn1C
Show InChI InChI=1S/C17H28N4O2/c1-3-23-17(22)21-11-6-15(7-12-21)20-9-4-14(5-10-20)16-18-8-13-19(16)2/h8,13-15H,3-7,9-12H2,1-2H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280375
PNG
(US10030012, Example 5 | ethyl 4-{4-[5-(4- chloroph...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H31ClN4O2/c1-2-30-23(29)27-14-3-4-20(10-17-27)26-15-11-21(12-16-26)28-22(9-13-25-28)18-5-7-19(24)8-6-18/h5-9,13,20-21H,2-4,10-12,14-17H2,1H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280383
PNG
(US10030012, Example 13 | ethyl 4-[4- methoxy-4- (1...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)(OC)c1nccn1C
Show InChI InChI=1S/C19H32N4O3/c1-4-26-18(24)23-11-5-6-16(7-12-23)22-13-8-19(25-3,9-14-22)17-20-10-15-21(17)2/h10,15-16H,4-9,11-14H2,1-3H3
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n/an/an/an/a 2.88E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280386
PNG
(US10030012, Example 16 | ethyl 4-[4- (3-methyl- 1H...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1ccc(C)n1
Show InChI InChI=1S/C18H30N4O2/c1-3-24-18(23)21-10-4-5-16(7-13-21)20-11-8-17(9-12-20)22-14-6-15(2)19-22/h6,14,16-17H,3-5,7-13H2,1-2H3
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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280389
PNG
(US10030012, Example 19 | ethyl 4-(4-{1- [(cyclopro...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1nccn1CC(=O)NC1CC1
Show InChI InChI=1S/C22H35N5O3/c1-2-30-22(29)26-11-3-4-19(9-14-26)25-12-7-17(8-13-25)21-23-10-15-27(21)16-20(28)24-18-5-6-18/h10,15,17-19H,2-9,11-14,16H2,1H3,(H,24,28)
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n/an/an/an/a 1.51E+3n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280392
PNG
(US10030012, Example 22 | ethyl 4-(4-{5- [1-(propan...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1cnn(c1)C(C)C
Show InChI InChI=1S/C23H36N6O2/c1-4-31-23(30)27-12-5-6-20(8-15-27)26-13-9-21(10-14-26)29-22(7-11-24-29)19-16-25-28(17-19)18(2)3/h7,11,16-18,20-21H,4-6,8-10,12-15H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(Homo sapiens (Human))
BDBM280392
PNG
(US10030012, Example 22 | ethyl 4-(4-{5- [1-(propan...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)n1nccc1-c1cnn(c1)C(C)C
Show InChI InChI=1S/C23H36N6O2/c1-4-31-23(30)27-12-5-6-20(8-15-27)26-13-9-21(10-14-26)29-22(7-11-24-29)19-16-25-28(17-19)18(2)3/h7,11,16-18,20-21H,4-6,8-10,12-15H2,1-3H3
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n/an/an/an/a 680n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280403
PNG
(US10030012, Example 33 | ethyl 4-[4-(6- methoxypyr...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccc(OC)n1
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(24)23-12-5-6-17(11-15-23)22-13-9-16(10-14-22)18-7-4-8-19(21-18)25-2/h4,7-8,16-17H,3,5-6,9-15H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280409
PNG
(US10030012, Example 39 | ethyl 4-[4-(1- methyl-2-o...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccn(C)c1=O
Show InChI InChI=1S/C20H31N3O3/c1-3-26-20(25)23-12-4-6-17(10-15-23)22-13-8-16(9-14-22)18-7-5-11-21(2)19(18)24/h5,7,11,16-17H,3-4,6,8-10,12-15H2,1-2H3
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n/an/an/an/a 740n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280411
PNG
(US10030012, Example 41 | ethyl 4-[4-(2- methylpyri...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cccnc1C
Show InChI InChI=1S/C20H31N3O2/c1-3-25-20(24)23-12-5-6-18(10-15-23)22-13-8-17(9-14-22)19-7-4-11-21-16(19)2/h4,7,11,17-18H,3,5-6,8-10,12-15H2,1-2H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280412
PNG
(US10030012, Example 42 | ethyl 4-[4-(2- ethoxy-5-m...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(C)cnc1OCC
Show InChI InChI=1S/C22H35N3O3/c1-4-27-21-20(15-17(3)16-23-21)18-8-12-24(13-9-18)19-7-6-11-25(14-10-19)22(26)28-5-2/h15-16,18-19H,4-14H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280420
PNG
(US10030012, Example 50 | ethyl 4-{4-[6- (dimethyla...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncc(n1)N(C)C
Show InChI InChI=1S/C20H33N5O2/c1-4-27-20(26)25-10-5-6-17(9-13-25)24-11-7-16(8-12-24)18-14-21-15-19(22-18)23(2)3/h14-17H,4-13H2,1-3H3
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Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

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


(HUMAN M3)
BDBM280421
PNG
(US10030012, Example 51 | ethyl 4-[4-(4- methoxy- p...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cncnc1OC
Show InChI InChI=1S/C19H30N4O3/c1-3-26-19(24)23-9-4-5-16(8-12-23)22-10-6-15(7-11-22)17-13-20-14-21-18(17)25-2/h13-16H,3-12H2,1-2H3
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n/an/an/an/a 310n/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
The functional activity of compounds at the M4 and M2 receptors was determined by measuring changes in the level of intracellular calcium ions caused...


US Patent US10030012 (2018)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%