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Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 590   
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


(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 2.36E+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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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n/an/an/an/a 1.87E+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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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


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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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n/an/an/an/a>1.00E+7n/an/an/an/a



Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM280376
PNG
(US10030012, Example 6 | ethyl 4-[4-(1H- pyrazol-3-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc[nH]n1
Show InChI InChI=1S/C17H28N4O2/c1-2-23-17(22)21-10-3-4-15(8-13-21)20-11-6-14(7-12-20)16-5-9-18-19-16/h5,9,14-15H,2-4,6-8,10-13H2,1H3,(H,18,19)
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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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n/an/an/an/a 1.28E+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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		BDBM280387
PNG
(US10030012, Example 17 | ethyl 4-{4-[3- (thiophen-...)
Show SMILES CCOC(=O)N1CCCC(CC1)N1CCC(CC1)c1cc(n[nH]1)-c1cccs1
Show InChI InChI=1S/C21H30N4O2S/c1-2-27-21(26)25-10-3-5-17(9-13-25)24-11-7-16(8-12-24)18-15-19(23-22-18)20-6-4-14-28-20/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
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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Heptares Therapeutics Limited

US Patent




US Patent US10030012 (2018)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))		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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n/an/an/an/a 20n/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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(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 20n/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)


BindingDB Entry DOI: 10.7270/Q2KK9DTW
More data for this
Ligand-Target Pair
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