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Compile Data Set for Download or QSAR

Found 27 hits of affinity data for UniProtKB/TrEMBL: P13807    Zinc 0: unavailable per Zinc DB. Zinc 1: purchasable, 2 weeks to supply. Zinc 2: made on demand. Zinc 4: potentially available
Target
(Institution)
LigandTarget
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
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381133
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N(C)CCO)cc1
Show InChI InChI=1S/C24H23F2NO4/c1-27(10-11-28)24(29)18-5-3-4-16(12-18)15-31-19-8-6-17(7-9-19)20-13-21(25)22(26)14-23(20)30-2/h3-9,12-14,28H,10-11,15H2,1-2H3
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n/an/an/an/a 4100n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381135
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N2CCC[C@H]2C(O)=O)cc1
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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381158
PNG
Show SMILES Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C[C@@H](O)CO)c3=O)cc1
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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381157
PNG
Show SMILES OC[C@H](O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3Cl)cccc2c1=O
Show InChI InChI=1S/C23H19ClF2N2O4/c24-19-9-21(26)20(25)8-18(19)13-4-6-16(7-5-13)32-12-14-2-1-3-17-22(14)27-28(23(17)31)10-15(30)11-29/h1-9,15,27,29-30H,10-12H2/t15-/m1/s1
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n/an/an/an/a 260n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381156
PNG
Show SMILES OC[C@H](O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
Show InChI InChI=1S/C23H19F3N2O4/c24-19-9-21(26)20(25)8-18(19)13-4-6-16(7-5-13)32-12-14-2-1-3-17-22(14)27-28(23(17)31)10-15(30)11-29/h1-9,15,27,29-30H,10-12H2/t15-/m1/s1
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n/an/an/an/a 680n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381155
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C[C@H](O)CO)c3=O)cc1
Show InChI InChI=1S/C24H22F2N2O5/c1-32-22-10-21(26)20(25)9-19(22)14-5-7-17(8-6-14)33-13-15-3-2-4-18-23(15)27-28(24(18)31)11-16(30)12-29/h2-10,16,27,29-30H,11-13H2,1H3/t16-/m0/s1
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n/an/an/an/a 250n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381154
PNG
Show SMILES Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C[C@H](O)CO)c3=O)cc1
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-/m0/s1
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n/an/an/an/a 340n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381153
PNG
Show SMILES OC[C@@H](O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3Cl)cccc2c1=O
Show InChI InChI=1S/C23H19ClF2N2O4/c24-19-9-21(26)20(25)8-18(19)13-4-6-16(7-5-13)32-12-14-2-1-3-17-22(14)27-28(23(17)31)10-15(30)11-29/h1-9,15,27,29-30H,10-12H2/t15-/m0/s1
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n/an/an/an/a 300n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381152
PNG
Show SMILES OC[C@@H](O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
Show InChI InChI=1S/C23H19F3N2O4/c24-19-9-21(26)20(25)8-18(19)13-4-6-16(7-5-13)32-12-14-2-1-3-17-22(14)27-28(23(17)31)10-15(30)11-29/h1-9,15,27,29-30H,10-12H2/t15-/m0/s1
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n/an/an/an/a 580n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381151
PNG
Show SMILES OCCn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
Show InChI InChI=1S/C22H17F3N2O3/c23-18-11-20(25)19(24)10-17(18)13-4-6-15(7-5-13)30-12-14-2-1-3-16-21(14)26-27(8-9-28)22(16)29/h1-7,10-11,26,28H,8-9,12H2
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n/an/an/an/a 770n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381150
PNG
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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381149
PNG
Show SMILES Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(CC(O)=O)c3=O)cc1
Show InChI InChI=1S/C23H18F2N2O4/c1-13-9-19(24)20(25)10-18(13)14-5-7-16(8-6-14)31-12-15-3-2-4-17-22(15)26-27(23(17)30)11-21(28)29/h2-10,26H,11-12H2,1H3,(H,28,29)
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n/an/an/an/a 420n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381148
PNG
Show SMILES OC(=O)Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
Show InChI InChI=1S/C22H15F3N2O4/c23-17-9-19(25)18(24)8-16(17)12-4-6-14(7-5-12)31-11-13-2-1-3-15-21(13)26-27(22(15)30)10-20(28)29/h1-9,26H,10-11H2,(H,28,29)
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n/an/an/an/a 1200n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381147
PNG
Show SMILES Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(-c2ccc(F)cc2)c3=O)cc1
Show InChI InChI=1S/C27H19F3N2O2/c1-16-13-24(29)25(30)14-23(16)17-5-11-21(12-6-17)34-15-18-3-2-4-22-26(18)31-32(27(22)33)20-9-7-19(28)8-10-20/h2-14,31H,15H2,1H3
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n/an/an/an/a 1470n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381146
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(-c2ccc(F)cc2)c3=O)cc1
Show InChI InChI=1S/C27H19F3N2O3/c1-34-25-14-24(30)23(29)13-22(25)16-5-11-20(12-6-16)35-15-17-3-2-4-21-26(17)31-32(27(21)33)19-9-7-18(28)8-10-19/h2-14,31H,15H2,1H3
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n/an/an/an/a 1370n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381145
PNG
Show SMILES Fc1cc(Cl)c(cc1F)-c1ccc(OCc2cccc3c2[nH]n(-c2cccnc2)c3=O)cc1
Show InChI InChI=1S/C25H16ClF2N3O2/c26-21-12-23(28)22(27)11-20(21)15-6-8-18(9-7-15)33-14-16-3-1-5-19-24(16)30-31(25(19)32)17-4-2-10-29-13-17/h1-13,30H,14H2
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n/an/an/an/a 1860n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381144
PNG
Show SMILES Fc1cc(F)c(cc1F)-c1ccc(OCc2cccc3c2[nH]n(-c2cccnc2)c3=O)cc1
Show InChI InChI=1S/C25H16F3N3O2/c26-21-12-23(28)22(27)11-20(21)15-6-8-18(9-7-15)33-14-16-3-1-5-19-24(16)30-31(25(19)32)17-4-2-10-29-13-17/h1-13,30H,14H2
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n/an/an/an/a 4010n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381143
PNG
Show SMILES COCCn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3OC)cccc2c1=O
Show InChI InChI=1S/C24H22F2N2O4/c1-30-11-10-28-24(29)18-5-3-4-16(23(18)27-28)14-32-17-8-6-15(7-9-17)19-12-20(25)21(26)13-22(19)31-2/h3-9,12-13,27H,10-11,14H2,1-2H3
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n/an/an/an/a 370n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381142
PNG
Show SMILES COCCn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
Show InChI InChI=1S/C23H19F3N2O3/c1-30-10-9-28-23(29)17-4-2-3-15(22(17)27-28)13-31-16-7-5-14(6-8-16)18-11-20(25)21(26)12-19(18)24/h2-8,11-12,27H,9-10,13H2,1H3
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n/an/an/an/a 790n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381141
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C)c3=O)cc1
Show InChI InChI=1S/C22H18F2N2O3/c1-26-22(27)16-5-3-4-14(21(16)25-26)12-29-15-8-6-13(7-9-15)17-10-18(23)19(24)11-20(17)28-2/h3-11,25H,12H2,1-2H3
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n/an/an/an/a 320n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381140
PNG
Show SMILES Cc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C)c3=O)cc1
Show InChI InChI=1S/C22H18F2N2O2/c1-13-10-19(23)20(24)11-18(13)14-6-8-16(9-7-14)28-12-15-4-3-5-17-21(15)25-26(2)22(17)27/h3-11,25H,12H2,1-2H3
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n/an/an/an/a 240n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381139
PNG
Show SMILES Cn1[nH]c2c(COc3ccc(cc3)-c3cc(F)c(F)cc3F)cccc2c1=O
Show InChI InChI=1S/C21H15F3N2O2/c1-26-21(27)15-4-2-3-13(20(15)25-26)11-28-14-7-5-12(6-8-14)16-9-18(23)19(24)10-17(16)22/h2-10,25H,11H2,1H3
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n/an/an/an/a 1780n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381138
PNG
Show SMILES Fc1cc(F)c(cc1F)-c1ccc(OCc2cccc3c2[nH]oc3=O)cc1
Show InChI InChI=1S/C20H12F3NO3/c21-16-9-18(23)17(22)8-15(16)11-4-6-13(7-5-11)26-10-12-2-1-3-14-19(12)24-27-20(14)25/h1-9,24H,10H2
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n/an/an/an/a 1000n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381137
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc(c2)C(=O)N(C)CC(O)O)cc1
Show InChI InChI=1S/C24H23F2NO5/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/h3-12,23,28-29H,13-14H2,1-2H3
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n/an/an/an/a 10300n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381136
PNG
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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381134
PNG
Show SMILES OC(=O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(cc2)-c2ccccc2)o1
Show InChI InChI=1S/C23H21NO5/c25-22(24-14-4-7-20(24)23(26)27)21-13-12-19(29-21)15-28-18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-3,5-6,8-13,20H,4,7,14-15H2,(H,26,27)/t20-/m0/s1
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n/an/an/an/a 15100n/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


Citation and Details
More data for this
Ligand-Target Pair
Muscle glycogen synthase


(Homo sapiens)
CHEMBL2381159
PNG
Show SMILES COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c2[nH]n(C[C@@H](O)CO)c3=O)cc1
Show InChI InChI=1S/C24H22F2N2O5/c1-32-22-10-21(26)20(25)9-19(22)14-5-7-17(8-6-14)33-13-15-3-2-4-18-23(15)27-28(24(18)31)11-16(30)12-29/h2-10,16,27,29-30H,11-13H2,1H3/t16-/m1/s1
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n/an/an/an/a 270n/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


Citation and Details
More data for this
Ligand-Target Pair