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Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'takeshita' and Initial = 's'   
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
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50177675
PNG
(CHEMBL3814634)
Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)
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30n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50177674
PNG
(CHEMBL3813892)
Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1 |(6.01,-2.39,;4.83,-2.05,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
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100n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50177673
PNG
(CHEMBL3814575)
Show SMILES OC(=O)CCn1c(c(-c2ccccc2)c2cc(ccc12)C1CC1)-c1ccccc1
Show InChI InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
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120n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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160n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM50177672
PNG
(CHEMBL1586017)
Show SMILES OC(=O)CCn1c(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
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>1.40E+3n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay


ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen [starch] synthase, muscle


(Homo sapiens (Human))
BDBM212154
PNG
(US9290487, compound of Ex. 1)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)cc3CCOc23)c1 |r|
Show InChI InChI=1S/C27H24FNO5/c28-21-14-19-10-12-33-25(19)23(15-21)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/h1,3-4,6-9,13-15,24H,2,5,10-12,16H2,(H,31,32)/t24-/m0/s1
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n/an/an/an/a 260n/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))
BDBM212155
PNG
(US9290487, compound of Ex. 2)
Show SMILES CN(CC(O)=O)C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)cc3CCOc23)c1
Show InChI InChI=1S/C25H22FNO5/c1-27(14-23(28)29)25(30)19-4-2-3-16(11-19)15-32-21-7-5-17(6-8-21)22-13-20(26)12-18-9-10-31-24(18)22/h2-8,11-13H,9-10,14-15H2,1H3,(H,28,29)
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n/an/an/an/a 590n/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))
BDBM212157
PNG
(US9290487, compound of Ex. 4)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3OCOc23)c1 |r|
Show InChI InChI=1S/C26H23NO6/c28-25(27-13-3-7-22(27)26(29)30)19-5-1-4-17(14-19)15-31-20-11-9-18(10-12-20)21-6-2-8-23-24(21)33-16-32-23/h1-2,4-6,8-12,14,22H,3,7,13,15-16H2,(H,29,30)/t22-/m0/s1
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n/an/an/an/a 250n/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))
BDBM212158
PNG
(US9290487, compound of Ex. 5)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3CCOc23)c1 |r|
Show InChI InChI=1S/C27H25NO5/c29-26(28-14-3-8-24(28)27(30)31)21-6-1-4-18(16-21)17-33-22-11-9-19(10-12-22)23-7-2-5-20-13-15-32-25(20)23/h1-2,4-7,9-12,16,24H,3,8,13-15,17H2,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 500n/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))
BDBM212159
PNG
(US9290487, compound of Ex. 6)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc3occc3c2)c1 |r|
Show InChI InChI=1S/C27H23NO5/c29-26(28-13-2-5-24(28)27(30)31)22-4-1-3-18(15-22)17-33-23-9-6-19(7-10-23)20-8-11-25-21(16-20)12-14-32-25/h1,3-4,6-12,14-16,24H,2,5,13,17H2,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 330n/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))
BDBM212160
PNG
(US9290487, compound of Ex. 7)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3ccoc23)c1 |r|
Show InChI InChI=1S/C27H23NO5/c29-26(28-14-3-8-24(28)27(30)31)21-6-1-4-18(16-21)17-33-22-11-9-19(10-12-22)23-7-2-5-20-13-15-32-25(20)23/h1-2,4-7,9-13,15-16,24H,3,8,14,17H2,(H,30,31)/t24-/m0/s1
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n/an/an/an/a 260n/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))
BDBM212161
PNG
(US9290487, compound of Ex. 8)
Show SMILES Cc1cc2cccc(-c3ccc(OCc4cccc(c4)C(=O)N4CCC[C@H]4C(O)=O)cc3)c2o1 |r|
Show InChI InChI=1S/C28H25NO5/c1-18-15-21-6-3-8-24(26(21)34-18)20-10-12-23(13-11-20)33-17-19-5-2-7-22(16-19)27(30)29-14-4-9-25(29)28(31)32/h2-3,5-8,10-13,15-16,25H,4,9,14,17H2,1H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 820n/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))
BDBM212162
PNG
(US9290487, compound of Ex. 9)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3C=CCOc23)c1 |r,c:30|
Show InChI InChI=1S/C28H25NO5/c30-27(29-15-3-10-25(29)28(31)32)22-7-1-5-19(17-22)18-34-23-13-11-20(12-14-23)24-9-2-6-21-8-4-16-33-26(21)24/h1-2,4-9,11-14,17,25H,3,10,15-16,18H2,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 320n/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))
BDBM212163
PNG
(US9290487, compound of Ex. 10)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc(F)c3CCOc23)c1 |r|
Show InChI InChI=1S/C27H24FNO5/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/h1,3-4,6-11,15,24H,2,5,12-14,16H2,(H,31,32)/t24-/m0/s1
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n/an/an/an/a 350n/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))
BDBM212164
PNG
(US9290487, compound of Ex. 11)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)cc3C=CCOc23)c1 |r,c:31|
Show InChI InChI=1S/C28H24FNO5/c29-22-15-20-6-3-13-34-26(20)24(16-22)19-8-10-23(11-9-19)35-17-18-4-1-5-21(14-18)27(31)30-12-2-7-25(30)28(32)33/h1,3-6,8-11,14-16,25H,2,7,12-13,17H2,(H,32,33)/t25-/m0/s1
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n/an/an/an/a 780n/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))
BDBM212165
PNG
(US9290487, compound of Ex. 12)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)cc3ccoc23)c1 |r|
Show InChI InChI=1S/C27H22FNO5/c28-21-14-19-10-12-33-25(19)23(15-21)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 350n/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))
BDBM212166
PNG
(US9290487, compound of Ex. 13)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc(F)c3OCOc23)c1 |r|
Show InChI InChI=1S/C26H22FNO6/c27-21-11-10-20(23-24(21)34-15-33-23)17-6-8-19(9-7-17)32-14-16-3-1-4-18(13-16)25(29)28-12-2-5-22(28)26(30)31/h1,3-4,6-11,13,22H,2,5,12,14-15H2,(H,30,31)/t22-/m0/s1
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n/an/an/an/a 270n/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))
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))
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))
BDBM212170
PNG
(US9290487, compound of Ex. 17)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cc(F)c3occc3c2F)c1 |r|
Show InChI InChI=1S/C27H21F2NO5/c28-22-14-21(24(29)20-10-12-34-25(20)22)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 270n/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))
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))
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))
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))
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))
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))
BDBM212177
PNG
(US9290487, compound of Ex. 24)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3CCCc23)c1 |r|
Show InChI InChI=1S/C28H27NO4/c30-27(29-16-4-11-26(29)28(31)32)22-8-1-5-19(17-22)18-33-23-14-12-21(13-15-23)25-10-3-7-20-6-2-9-24(20)25/h1,3,5,7-8,10,12-15,17,26H,2,4,6,9,11,16,18H2,(H,31,32)/t26-/m0/s1
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n/an/an/an/a 670n/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))
BDBM212178
PNG
(US9290487, compound of Ex. 25)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc(F)c3occc23)c1 |r|
Show InChI InChI=1S/C27H22FNO5/c28-23-11-10-21(22-12-14-33-25(22)23)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 400n/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))
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))
BDBM212181
PNG
(US9290487, compound of Ex. 28)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3ccsc23)c1 |r|
Show InChI InChI=1S/C27H23NO4S/c29-26(28-14-3-8-24(28)27(30)31)21-6-1-4-18(16-21)17-32-22-11-9-19(10-12-22)23-7-2-5-20-13-15-33-25(20)23/h1-2,4-7,9-13,15-16,24H,3,8,14,17H2,(H,30,31)/t24-/m0/s1
PDB

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n/an/an/an/a 890n/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))
BDBM212182
PNG
(US9290487, compound of Ex. 29)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2ccc(F)c3[nH]ccc23)c1 |r|
PDB

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n/an/an/an/a 230n/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
PDB

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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))
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))
BDBM212185
PNG
(US9290487, compound of Ex. 32)
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1cccc(COc2ccc(cc2)-c2cccc3NC(=O)COc23)c1 |r|
Show InChI InChI=1S/C27H24N2O6/c30-24-16-35-25-21(6-2-7-22(25)28-24)18-9-11-20(12-10-18)34-15-17-4-1-5-19(14-17)26(31)29-13-3-8-23(29)27(32)33/h1-2,4-7,9-12,14,23H,3,8,13,15-16H2,(H,28,30)(H,32,33)/t23-/m0/s1
PDB

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n/an/an/an/a 750n/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|
PDB

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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))
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))
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))
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))
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))
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))
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))
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))
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|
PDB

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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))
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))
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))
BDBM212196
PNG
(US9290487, compound of Ex. 44)
Show SMILES COC(=O)c1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C27H23F2NO6/c1-35-27(34)21-14-23(29)22(28)13-20(21)17-7-9-19(10-8-17)36-15-16-4-2-5-18(12-16)25(31)30-11-3-6-24(30)26(32)33/h2,4-5,7-10,12-14,24H,3,6,11,15H2,1H3,(H,32,33)/t24-/m0/s1
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n/an/an/an/a 810n/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))
BDBM212197
PNG
(US9290487, compound of Ex. 45)
Show SMILES COCc1coc2c(cc(F)c(F)c12)-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1 |r|
Show InChI InChI=1S/C29H25F2NO6/c1-36-15-20-16-38-27-22(13-23(30)26(31)25(20)27)18-7-9-21(10-8-18)37-14-17-4-2-5-19(12-17)28(33)32-11-3-6-24(32)29(34)35/h2,4-5,7-10,12-13,16,24H,3,6,11,14-15H2,1H3,(H,34,35)/t24-/m0/s1
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n/an/an/an/a 800n/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
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