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Compile Data Set for Download or QSAR

Found 101 hits of ec50 data for polymerid = 8839   
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
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM50433706
PNG
(CHEMBL2381135 | US9290487, compound of Ex. 37)
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H23F2NO5/c1-33-24-14-22(28)21(27)13-20(24)17-7-9-19(10-8-17)34-15-16-4-2-5-18(12-16)25(30)29-11-3-6-23(29)26(31)32/h2,4-5,7-10,12-14,23H,3,6,11,15H2,1H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a 10n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212188
PNG
(US9290487, compound of Ex. 35)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2OCC#N)c1 |r|
Show InChI InChI=1S/C27H22F2N2O5/c28-22-14-21(25(15-23(22)29)35-12-10-30)18-6-8-20(9-7-18)36-16-17-3-1-4-19(13-17)26(32)31-11-2-5-24(31)27(33)34/h1,3-4,6-9,13-15,24H,2,5,11-12,16H2,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 15n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212187
PNG
(US9290487, compound of Ex. 34)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2OCC#C)c1 |r|
Show InChI InChI=1S/C28H23F2NO5/c1-2-13-35-26-16-24(30)23(29)15-22(26)19-8-10-21(11-9-19)36-17-18-5-3-6-20(14-18)27(32)31-12-4-7-25(31)28(33)34/h1,3,5-6,8-11,14-16,25H,4,7,12-13,17H2,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 17n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212168
PNG
(US9290487, compound of Ex. 15)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3ccoc23)c1 |r|
Show InChI InChI=1S/C27H21F2NO5/c28-22-14-21(25-20(24(22)29)10-12-34-25)17-6-8-19(9-7-17)35-15-16-3-1-4-18(13-16)26(31)30-11-2-5-23(30)27(32)33/h1,3-4,6-10,12-14,23H,2,5,11,15H2,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 22n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212190
PNG
(US9290487, compound of Ex. 38)
Show SMILES CSc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H23F2NO4S/c1-34-24-14-22(28)21(27)13-20(24)17-7-9-19(10-8-17)33-15-16-4-2-5-18(12-16)25(30)29-11-3-6-23(29)26(31)32/h2,4-5,7-10,12-14,23H,3,6,11,15H2,1H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a 29n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212172
PNG
(US9290487, compound of Ex. 19)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3CCOc23)c1 |r|
Show InChI InChI=1S/C27H23F2NO5/c28-22-14-21(25-20(24(22)29)10-12-34-25)17-6-8-19(9-7-17)35-15-16-3-1-4-18(13-16)26(31)30-11-2-5-23(30)27(32)33/h1,3-4,6-9,13-14,23H,2,5,10-12,15H2,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 31n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212186
PNG
(US9290487, compound of Ex. 33)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3[nH]ccc23)c1 |r|
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n/an/an/an/a 34n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212169
PNG
(US9290487, compound of Ex. 16)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc3ccoc3c(F)c2F)c1 |r|
Show InChI InChI=1S/C27H21F2NO5/c28-23-21(14-18-10-12-34-25(18)24(23)29)17-6-8-20(9-7-17)35-15-16-3-1-4-19(13-16)26(31)30-11-2-5-22(30)27(32)33/h1,3-4,6-10,12-14,22H,2,5,11,15H2,(H,32,33)/t22-/m0/s1
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n/an/an/an/a 35n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212223
PNG
(US9290487, compound of Ex. 71)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2SCC#N)c1 |r|
Show InChI InChI=1S/C27H22F2N2O4S/c28-22-14-21(25(15-23(22)29)36-12-10-30)18-6-8-20(9-7-18)35-16-17-3-1-4-19(13-17)26(32)31-11-2-5-24(31)27(33)34/h1,3-4,6-9,13-15,24H,2,5,11-12,16H2,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 38n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212191
PNG
(US9290487, compound of Ex. 39)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3ccsc23)c1 |r|
Show InChI InChI=1S/C27H21F2NO4S/c28-22-14-21(25-20(24(22)29)10-12-35-25)17-6-8-19(9-7-17)34-15-16-3-1-4-18(13-16)26(31)30-11-2-5-23(30)27(32)33/h1,3-4,6-10,12-14,23H,2,5,11,15H2,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 42n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212208
PNG
(US9290487, compound of Ex. 56)
Show SMILES OCc1coc2c(cc(F)c(F)c12)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C28H23F2NO6/c29-22-12-21(26-24(25(22)30)19(13-32)15-37-26)17-6-8-20(9-7-17)36-14-16-3-1-4-18(11-16)27(33)31-10-2-5-23(31)28(34)35/h1,3-4,6-9,11-12,15,23,32H,2,5,10,13-14H2,(H,34,35)/t23-/m0/s1
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n/an/an/an/a 44n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212210
PNG
(US9290487, compound of Ex. 58)
Show SMILES O\N=C\c1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2o1 |r|
Show InChI InChI=1S/C28H22F2N2O6/c29-23-13-21(26-22(25(23)30)12-20(38-26)14-31-36)17-6-8-19(9-7-17)37-15-16-3-1-4-18(11-16)27(33)32-10-2-5-24(32)28(34)35/h1,3-4,6-9,11-14,24,36H,2,5,10,15H2,(H,34,35)/b31-14+/t24-/m0/s1
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n/an/an/an/a 45n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212174
PNG
(US9290487, compound of Ex. 21)
Show SMILES Cc1coc2c(cc(F)c(F)c12)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C28H23F2NO5/c1-16-14-36-26-21(13-22(29)25(30)24(16)26)18-7-9-20(10-8-18)35-15-17-4-2-5-19(12-17)27(32)31-11-3-6-23(31)28(33)34/h2,4-5,7-10,12-14,23H,3,6,11,15H2,1H3,(H,33,34)/t23-/m0/s1
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n/an/an/an/a 54n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212194
PNG
(US9290487, compound of Ex. 42)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c(NCC#N)c2)c1 |r|
Show InChI InChI=1S/C27H23F2N3O4/c28-22-14-20(15-23(25(22)29)31-11-10-30)18-6-8-21(9-7-18)36-16-17-3-1-4-19(13-17)26(33)32-12-2-5-24(32)27(34)35/h1,3-4,6-9,13-15,24,31H,2,5,11-12,16H2,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 54n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212204
PNG
(US9290487, compound of Ex. 52)
Show SMILES O\N=C\c1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H22F2N2O5/c27-22-12-19(14-29-34)21(13-23(22)28)17-6-8-20(9-7-17)35-15-16-3-1-4-18(11-16)25(31)30-10-2-5-24(30)26(32)33/h1,3-4,6-9,11-14,24,34H,2,5,10,15H2,(H,32,33)/b29-14+/t24-/m0/s1
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n/an/an/an/a 61n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212173
PNG
(US9290487, compound of Ex. 20)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2c(F)cc(F)c3ccoc23)c1 |r|
Show InChI InChI=1S/C27H21F2NO5/c28-21-14-22(29)24(25-20(21)10-12-34-25)17-6-8-19(9-7-17)35-15-16-3-1-4-18(13-16)26(31)30-11-2-5-23(30)27(32)33/h1,3-4,6-10,12-14,23H,2,5,11,15H2,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 64n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212225
PNG
(US9290487, compound of Ex. 73)
Show SMILES COCc1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2o1 |r|
Show InChI InChI=1S/C29H25F2NO6/c1-36-16-21-13-23-26(31)24(30)14-22(27(23)38-21)18-7-9-20(10-8-18)37-15-17-4-2-5-19(12-17)28(33)32-11-3-6-25(32)29(34)35/h2,4-5,7-10,12-14,25H,3,6,11,15-16H2,1H3,(H,34,35)/t25-/m0/s1
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n/an/an/an/a 65n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212167
PNG
(US9290487, compound of Ex. 14)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c3occc3c2)c1 |r|
Show InChI InChI=1S/C27H22FNO5/c28-23-15-21(14-19-10-12-33-25(19)23)18-6-8-22(9-7-18)34-16-17-3-1-4-20(13-17)26(30)29-11-2-5-24(29)27(31)32/h1,3-4,6-10,12-15,24H,2,5,11,16H2,(H,31,32)/t24-/m0/s1
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n/an/an/an/a 70n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212195
PNG
(US9290487, compound of Ex. 43)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2C=O)c1 |r|
Show InChI InChI=1S/C26H21F2NO5/c27-22-12-19(14-30)21(13-23(22)28)17-6-8-20(9-7-17)34-15-16-3-1-4-18(11-16)25(31)29-10-2-5-24(29)26(32)33/h1,3-4,6-9,11-14,24H,2,5,10,15H2,(H,32,33)/t24-/m0/s1
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n/an/an/an/a 70n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212218
PNG
(US9290487, compound of Ex. 66)
Show SMILES OCc1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2s1 |r|
Show InChI InChI=1S/C28H23F2NO5S/c29-23-13-21(26-22(25(23)30)12-20(14-32)37-26)17-6-8-19(9-7-17)36-15-16-3-1-4-18(11-16)27(33)31-10-2-5-24(31)28(34)35/h1,3-4,6-9,11-13,24,32H,2,5,10,14-15H2,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 74n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212203
PNG
(US9290487, compound of Ex. 51)
Show SMILES CC(=O)CSc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C28H25F2NO5S/c1-17(32)16-37-26-14-24(30)23(29)13-22(26)19-7-9-21(10-8-19)36-15-18-4-2-5-20(12-18)27(33)31-11-3-6-25(31)28(34)35/h2,4-5,7-10,12-14,25H,3,6,11,15-16H2,1H3,(H,34,35)/t25-/m0/s1
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n/an/an/an/a 83n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212207
PNG
(US9290487, compound of Ex. 55)
Show SMILES Cc1csc2c(cc(F)c(F)c12)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C28H23F2NO4S/c1-16-15-36-26-21(13-22(29)25(30)24(16)26)18-7-9-20(10-8-18)35-14-17-4-2-5-19(12-17)27(32)31-11-3-6-23(31)28(33)34/h2,4-5,7-10,12-13,15,23H,3,6,11,14H2,1H3,(H,33,34)/t23-/m0/s1
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n/an/an/an/a 85n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212184
PNG
(US9290487, compound of Ex. 31)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3OCC=Cc23)c1 |r,c:34|
Show InChI InChI=1S/C28H23F2NO5/c29-23-15-22(21-6-3-13-35-26(21)25(23)30)18-8-10-20(11-9-18)36-16-17-4-1-5-19(14-17)27(32)31-12-2-7-24(31)28(33)34/h1,3-6,8-11,14-15,24H,2,7,12-13,16H2,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 100n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212193
PNG
(US9290487, compound of Ex. 41)
Show SMILES Cc1cc2c(cc(F)c(F)c2[nH]1)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
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n/an/an/an/a 100n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM50433704
PNG
(CHEMBL2381136)
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N(C)CC(O)=O)cc1
Show InChI InChI=1S/C24H21F2NO5/c1-27(13-23(28)29)24(30)17-5-3-4-15(10-17)14-32-18-8-6-16(7-9-18)19-11-20(25)21(26)12-22(19)31-2/h3-12H,13-14H2,1-2H3,(H,28,29)
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n/an/an/an/a 100n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant muscle GYS1 expressed in insect sf9 cells using glycogen and UDP-glucose as substrates by spectrophotometry


Bioorg Med Chem Lett 23: 2936-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.049
BindingDB Entry DOI: 10.7270/Q2BC40X4
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212171
PNG
(US9290487, compound of Ex. 18)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3C=CCOc23)c1 |r,c:32|
Show InChI InChI=1S/C28H23F2NO5/c29-23-15-22(26-21(25(23)30)6-3-13-35-26)18-8-10-20(11-9-18)36-16-17-4-1-5-19(14-17)27(32)31-12-2-7-24(31)28(33)34/h1,3-6,8-11,14-15,24H,2,7,12-13,16H2,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 100n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212189
PNG
(US9290487, compound of Ex. 36)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2OCC=C)c1 |r|
Show InChI InChI=1S/C28H25F2NO5/c1-2-13-35-26-16-24(30)23(29)15-22(26)19-8-10-21(11-9-19)36-17-18-5-3-6-20(14-18)27(32)31-12-4-7-25(31)28(33)34/h2-3,5-6,8-11,14-16,25H,1,4,7,12-13,17H2,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 110n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212192
PNG
(US9290487, compound of Ex. 40)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2S)c1 |r|
Show InChI InChI=1S/C25H21F2NO4S/c26-20-12-19(23(33)13-21(20)27)16-6-8-18(9-7-16)32-14-15-3-1-4-17(11-15)24(29)28-10-2-5-22(28)25(30)31/h1,3-4,6-9,11-13,22,33H,2,5,10,14H2,(H,30,31)/t22-/m0/s1
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n/an/an/an/a 110n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212156
PNG
(US9290487, compound of Ex. 3)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc(F)c3ccoc23)c1 |r|
Show InChI InChI=1S/C27H22FNO5/c28-23-11-10-21(25-22(23)12-14-33-25)18-6-8-20(9-7-18)34-16-17-3-1-4-19(15-17)26(30)29-13-2-5-24(29)27(31)32/h1,3-4,6-12,14-15,24H,2,5,13,16H2,(H,31,32)/t24-/m0/s1
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n/an/an/an/a 110n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212176
PNG
(US9290487, compound of Ex. 23)
Show SMILES Cc1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2o1 |r|
Show InChI InChI=1S/C28H23F2NO5/c1-16-12-22-25(30)23(29)14-21(26(22)36-16)18-7-9-20(10-8-18)35-15-17-4-2-5-19(13-17)27(32)31-11-3-6-24(31)28(33)34/h2,4-5,7-10,12-14,24H,3,6,11,15H2,1H3,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 110n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212200
PNG
(US9290487, compound of Ex. 48)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c(OCC#N)c2)c1 |r|
Show InChI InChI=1S/C27H22F2N2O5/c28-22-14-20(15-24(25(22)29)35-12-10-30)18-6-8-21(9-7-18)36-16-17-3-1-4-19(13-17)26(32)31-11-2-5-23(31)27(33)34/h1,3-4,6-9,13-15,23H,2,5,11-12,16H2,(H,33,34)/t23-/m0/s1
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n/an/an/an/a 120n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212221
PNG
(US9290487, compound of Ex. 69)
Show SMILES OCCSc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H25F2NO5S/c28-22-14-21(25(15-23(22)29)36-12-11-31)18-6-8-20(9-7-18)35-16-17-3-1-4-19(13-17)26(32)30-10-2-5-24(30)27(33)34/h1,3-4,6-9,13-15,24,31H,2,5,10-12,16H2,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 130n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212183
PNG
(US9290487, compound of Ex. 30)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3occc23)c1 |r|
Show InChI InChI=1S/C27H21F2NO5/c28-22-14-21(20-10-12-34-25(20)24(22)29)17-6-8-19(9-7-17)35-15-16-3-1-4-18(13-16)26(31)30-11-2-5-23(30)27(32)33/h1,3-4,6-10,12-14,23H,2,5,11,15H2,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 140n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212209
PNG
(US9290487, compound of Ex. 57)
Show SMILES NC(=N)c1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2o1 |r|
Show InChI InChI=1S/C28H23F2N3O5/c29-21-12-19(25-20(24(21)30)13-23(38-25)26(31)32)16-6-8-18(9-7-16)37-14-15-3-1-4-17(11-15)27(34)33-10-2-5-22(33)28(35)36/h1,3-4,6-9,11-13,22H,2,5,10,14H2,(H3,31,32)(H,35,36)/t22-/m0/s1
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n/an/an/an/a 140n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212216
PNG
(US9290487, compound of Ex. 64)
Show SMILES OC(=O)[C@@H]1C=CCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3ccoc23)c1 |r,c:4|
Show InChI InChI=1S/C27H19F2NO5/c28-22-14-21(25-20(24(22)29)10-12-34-25)17-6-8-19(9-7-17)35-15-16-3-1-4-18(13-16)26(31)30-11-2-5-23(30)27(32)33/h1-10,12-14,23H,11,15H2,(H,32,33)/t23-/m0/s1
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n/an/an/an/a 140n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM50433706
PNG
(CHEMBL2381135 | US9290487, compound of Ex. 37)
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C26H23F2NO5/c1-33-24-14-22(28)21(27)13-20(24)17-7-9-19(10-8-17)34-15-16-4-2-5-18(12-16)25(30)29-11-3-6-23(29)26(31)32/h2,4-5,7-10,12-14,23H,3,6,11,15H2,1H3,(H,31,32)/t23-/m0/s1
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n/an/an/an/a 140n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant muscle GYS1 expressed in insect sf9 cells using glycogen and UDP-glucose as substrates by spectrophotometry


Bioorg Med Chem Lett 23: 2936-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.049
BindingDB Entry DOI: 10.7270/Q2BC40X4
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212211
PNG
(US9290487, compound of Ex. 59)
Show SMILES OC(=O)[C@@H]1CCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3ccoc23)c1 |r|
Show InChI InChI=1S/C26H19F2NO5/c27-21-13-20(24-19(23(21)28)9-11-33-24)16-4-6-18(7-5-16)34-14-15-2-1-3-17(12-15)25(30)29-10-8-22(29)26(31)32/h1-7,9,11-13,22H,8,10,14H2,(H,31,32)/t22-/m0/s1
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n/an/an/an/a 150n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212198
PNG
(US9290487, compound of Ex. 46)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3c(CC#N)coc23)c1 |r|
Show InChI InChI=1S/C29H22F2N2O5/c30-23-14-22(27-25(26(23)31)20(10-11-32)16-38-27)18-6-8-21(9-7-18)37-15-17-3-1-4-19(13-17)28(34)33-12-2-5-24(33)29(35)36/h1,3-4,6-9,13-14,16,24H,2,5,10,12,15H2,(H,35,36)/t24-/m0/s1
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n/an/an/an/a 150n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212199
PNG
(US9290487, compound of Ex. 47)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c(OCC#C)c2)c1 |r|
Show InChI InChI=1S/C28H23F2NO5/c1-2-13-35-25-16-21(15-23(29)26(25)30)19-8-10-22(11-9-19)36-17-18-5-3-6-20(14-18)27(32)31-12-4-7-24(31)28(33)34/h1,3,5-6,8-11,14-16,24H,4,7,12-13,17H2,(H,33,34)/t24-/m0/s1
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n/an/an/an/a 150n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212212
PNG
(US9290487, compound of Ex. 60)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2F)-c2cc(F)c(F)c3ccoc23)c1 |r|
Show InChI InChI=1S/C27H20F3NO5/c28-20-12-16(19-13-21(29)24(30)18-8-10-35-25(18)19)6-7-23(20)36-14-15-3-1-4-17(11-15)26(32)31-9-2-5-22(31)27(33)34/h1,3-4,6-8,10-13,22H,2,5,9,14H2,(H,33,34)/t22-/m0/s1
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n/an/an/an/a 160n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212179
PNG
(US9290487, compound of Ex. 26)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3[nH]ccc23)c1 |r|
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n/an/an/an/a 160n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212175
PNG
(US9290487, compound of Ex. 22)
Show SMILES CC1(C)Cc2cc(F)cc(c2O1)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C29H28FNO5/c1-29(2)16-21-14-22(30)15-24(26(21)36-29)19-8-10-23(11-9-19)35-17-18-5-3-6-20(13-18)27(32)31-12-4-7-25(31)28(33)34/h3,5-6,8-11,13-15,25H,4,7,12,16-17H2,1-2H3,(H,33,34)/t25-/m0/s1
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n/an/an/an/a 180n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212224
PNG
(US9290487, compound of Ex. 72)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)cc2SCCC#N)c1 |r|
Show InChI InChI=1S/C28H24F2N2O4S/c29-23-15-22(26(16-24(23)30)37-13-3-11-31)19-7-9-21(10-8-19)36-17-18-4-1-5-20(14-18)27(33)32-12-2-6-25(32)28(34)35/h1,4-5,7-10,14-16,25H,2-3,6,12-13,17H2,(H,34,35)/t25-/m0/s1
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n/an/an/an/a 190n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212222
PNG
(US9290487, compound of Ex. 70)
Show SMILES OCc1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2o1 |r|
Show InChI InChI=1S/C28H23F2NO6/c29-23-13-21(26-22(25(23)30)12-20(14-32)37-26)17-6-8-19(9-7-17)36-15-16-3-1-4-18(11-16)27(33)31-10-2-5-24(31)28(34)35/h1,3-4,6-9,11-13,24,32H,2,5,10,14-15H2,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 200n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM50433690
PNG
(CHEMBL2381150)
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(CC(O)=O)c3=O)cc1
Show InChI InChI=1S/C23H18F2N2O5/c1-31-20-10-19(25)18(24)9-17(20)13-5-7-15(8-6-13)32-12-14-3-2-4-16-22(14)26-27(23(16)30)11-21(28)29/h2-10,26H,11-12H2,1H3,(H,28,29)
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n/an/an/an/a 200n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant muscle GYS1 expressed in insect sf9 cells using glycogen and UDP-glucose as substrates by spectrophotometry


Bioorg Med Chem Lett 23: 2936-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.049
BindingDB Entry DOI: 10.7270/Q2BC40X4
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212226
PNG
(US9290487, compound of Ex. 74)
Show SMILES COCc1cc2c(F)c(F)cc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2s1 |r|
Show InChI InChI=1S/C29H25F2NO5S/c1-36-16-21-13-23-26(31)24(30)14-22(27(23)38-21)18-7-9-20(10-8-18)37-15-17-4-2-5-19(12-17)28(33)32-11-3-6-25(32)29(34)35/h2,4-5,7-10,12-14,25H,3,6,11,15-16H2,1H3,(H,34,35)/t25-/m0/s1
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n/an/an/an/a 200n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212180
PNG
(US9290487, compound of Ex. 27)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc(F)c3OCC=Cc23)c1 |r,c:33|
Show InChI InChI=1S/C28H24FNO5/c29-24-13-12-22(23-6-3-15-34-26(23)24)19-8-10-21(11-9-19)35-17-18-4-1-5-20(16-18)27(31)30-14-2-7-25(30)28(32)33/h1,3-6,8-13,16,25H,2,7,14-15,17H2,(H,32,33)/t25-/m0/s1
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n/an/an/an/a 210n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212201
PNG
(US9290487, compound of Ex. 49)
Show SMILES CC(=O)COc1cc(cc(F)c1F)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C28H25F2NO6/c1-17(32)15-37-25-14-21(13-23(29)26(25)30)19-7-9-22(10-8-19)36-16-18-4-2-5-20(12-18)27(33)31-11-3-6-24(31)28(34)35/h2,4-5,7-10,12-14,24H,3,6,11,15-16H2,1H3,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 220n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212215
PNG
(US9290487, compound of Ex. 63)
Show SMILES C[C@H](N(C)C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c(F)c3ccoc23)c1)C(O)=O |r|
Show InChI InChI=1S/C26H21F2NO5/c1-15(26(31)32)29(2)25(30)18-5-3-4-16(12-18)14-34-19-8-6-17(7-9-19)21-13-22(27)23(28)20-10-11-33-24(20)21/h3-13,15H,14H2,1-2H3,(H,31,32)/t15-/m0/s1
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n/an/an/an/a 220n/an/a7.330



AJINOMOTO CO., INC.

US Patent


Assay Description
To a polystyrene 96-well plate, a solution containing 30 mM glycylglycine (pH 7.3), 40 mM KCl, 20 mM MgCl2, 9.2% DMSO containing one of the test comp...


US Patent US9290487 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QGX
More data for this
Ligand-Target Pair
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM50433682
PNG
(CHEMBL2381158)
Show SMILES Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C[C@@H](O)CO)c3=O)cc1 |r|
Show InChI InChI=1S/C24H22F2N2O4/c1-14-9-21(25)22(26)10-20(14)15-5-7-18(8-6-15)32-13-16-3-2-4-19-23(16)27-28(24(19)31)11-17(30)12-29/h2-10,17,27,29-30H,11-13H2,1H3/t17-/m1/s1
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n/an/an/an/a 230n/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Activation of human recombinant muscle GYS1 expressed in insect sf9 cells using glycogen and UDP-glucose as substrates by spectrophotometry


Bioorg Med Chem Lett 23: 2936-40 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.049
BindingDB Entry DOI: 10.7270/Q2BC40X4
More data for this
Ligand-Target Pair
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