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Compile Data Set for Download or QSAR

Found 4504 hits of ec50 for UniProtKB: P49841   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484660
PNG
(US10934297, Compound 53)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2nnc3CNCCn23)cc1
Show InChI InChI=1S/C19H16FN7O/c20-12-2-4-13(5-3-12)22-19(28)17-14-9-11(1-6-15(14)23-25-17)18-26-24-16-10-21-7-8-27(16)18/h1-6,9,21H,7-8,10H2,(H,22,28)(H,23,25)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...


US Patent US10934297 (2021)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459181
PNG
(US10759799, Compound 2)
Show SMILES O=C1CCc2cccc(c2)-c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2
Show InChI InChI=1S/C27H19N7O/c35-23-7-4-15-2-1-3-17(10-15)24-26-22(8-9-29-24)31-27(32-26)25-20-12-16(5-6-21(20)33-34-25)18-11-19(30-23)14-28-13-18/h1-3,5-6,8-14H,4,7H2,(H,30,35)(H,31,32)(H,33,34)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459182
PNG
(US10759799, Compound 3)
Show SMILES O=C1CCc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2
Show InChI InChI=1S/C27H19N7O/c35-24-7-4-15-2-1-3-17(8-15)21-13-29-14-23-25(21)32-27(31-23)26-20-10-16(5-6-22(20)33-34-26)18-9-19(30-24)12-28-11-18/h1-3,5-6,8-14H,4,7H2,(H,30,35)(H,31,32)(H,33,34)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459187
PNG
(US10759799, Compound 8)
Show SMILES C1NCc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c(cncc5[nH]4)-c4cccc1c4)c3c2
Show InChI InChI=1S/C26H19N7/c1-2-15-6-18(3-1)21-13-29-14-23-24(21)31-26(30-23)25-20-8-17(4-5-22(20)32-33-25)19-7-16(10-27-9-15)11-28-12-19/h1-8,11-14,27H,9-10H2,(H,30,31)(H,32,33)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459192
PNG
(US10759799, Compound 38)
Show SMILES O=C1COc2cccc(c2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(N1)c2
Show InChI InChI=1S/C26H17N7O2/c34-23-13-35-18-3-1-2-15(7-18)20-11-28-12-22-24(20)31-26(30-22)25-19-8-14(4-5-21(19)32-33-25)16-6-17(29-23)10-27-9-16/h1-12H,13H2,(H,29,34)(H,30,31)(H,32,33)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459193
PNG
(US10759799, Compound 45)
Show SMILES CN1CCCn2cc(nn2)-c2cncc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(C1)c2
Show InChI InChI=1S/C25H20N10/c1-34-5-2-6-35-14-22(31-33-35)19-11-27-12-21-23(19)29-25(28-21)24-18-8-16(3-4-20(18)30-32-24)17-7-15(13-34)9-26-10-17/h3-4,7-12,14H,2,5-6,13H2,1H3/b25-24+
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385209
PNG
(US10287267, Compound 433 | US10508099, Compound 43...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1
Show InChI InChI=1S/C16H15N5O/c1-21-9-14(19-20-21)11-4-5-12-8-17-15(7-13(12)6-11)18-16(22)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,22)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293492
PNG
(US10106527, Compound 108 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccncc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-3-4-17-12-23-20(11-18(17)10-16)25-21(27)5-2-15-6-8-22-9-7-15/h3-4,6-14H,2,5H2,1H3,(H,23,25,27)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10544128 (2020)


BindingDB Entry DOI: 10.7270/Q2H134DS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385209
PNG
(US10287267, Compound 433 | US10508099, Compound 43...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1
Show InChI InChI=1S/C16H15N5O/c1-21-9-14(19-20-21)11-4-5-12-8-17-15(7-13(12)6-11)18-16(22)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,22)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293492
PNG
(US10106527, Compound 108 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccncc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-3-4-17-12-23-20(11-18(17)10-16)25-21(27)5-2-15-6-8-22-9-7-15/h3-4,6-14H,2,5H2,1H3,(H,23,25,27)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologiesa Div...


US Patent US9951048 (2018)


BindingDB Entry DOI: 10.7270/Q2862JRD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385209
PNG
(US10287267, Compound 433 | US10508099, Compound 43...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1
Show InChI InChI=1S/C16H15N5O/c1-21-9-14(19-20-21)11-4-5-12-8-17-15(7-13(12)6-11)18-16(22)10-2-3-10/h4-10H,2-3H2,1H3,(H,17,18,22)
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n/an/an/an/a 1n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293492
PNG
(US10106527, Compound 108 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccncc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-3-4-17-12-23-20(11-18(17)10-16)25-21(27)5-2-15-6-8-22-9-7-15/h3-4,6-14H,2,5H2,1H3,(H,23,25,27)
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n/an/an/an/a 1n/an/an/a25



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &#...


US Patent US10106527 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97Q3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386933
PNG
(CHEMBL2048678)
Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H16FN5O2/c1-2-28-16-8-9-22-11-15(16)24-20(27)14-7-10-23-19-17(14)25-18(26-19)12-3-5-13(21)6-4-12/h3-11H,2H2,1H3,(H,24,27)(H,23,25,26)
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Article
PubMed
n/an/an/an/a 1.5n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3B in human Rd cells


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459194
PNG
(US10759799, Compound 51)
Show SMILES CN1CCCCN(C)c2nccc3[nH]c(nc23)-c2n[nH]c3ccc(cc23)-c2cncc(C1)c2
Show InChI InChI=1S/C25H26N8/c1-32-9-3-4-10-33(2)25-23-21(7-8-27-25)28-24(29-23)22-19-12-17(5-6-20(19)30-31-22)18-11-16(15-32)13-26-14-18/h5-8,11-14H,3-4,9-10,15H2,1-2H3,(H,28,29)(H,30,31)
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n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293490
PNG
(US10106527, Compound 106 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3cccnc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-5-6-17-12-23-20(10-18(17)9-16)25-21(27)7-4-15-3-2-8-22-11-15/h2-3,5-6,8-14H,4,7H2,1H3,(H,23,25,27)
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n/an/an/an/a 2n/an/an/a25



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &#...


US Patent US10106527 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97Q3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293490
PNG
(US10106527, Compound 106 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3cccnc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-5-6-17-12-23-20(10-18(17)9-16)25-21(27)7-4-15-3-2-8-22-11-15/h2-3,5-6,8-14H,4,7H2,1H3,(H,23,25,27)
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n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologiesa Div...


US Patent US9951048 (2018)


BindingDB Entry DOI: 10.7270/Q2862JRD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293490
PNG
(US10106527, Compound 106 | US10544128, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3cccnc3)cc2c1
Show InChI InChI=1S/C21H19N5O/c1-26-14-19(13-24-26)16-5-6-17-12-23-20(10-18(17)9-16)25-21(27)7-4-15-3-2-8-22-11-15/h2-3,5-6,8-14H,4,7H2,1H3,(H,23,25,27)
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n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10544128 (2020)


BindingDB Entry DOI: 10.7270/Q2H134DS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385165
PNG
(US10287267, Compound 325 | US10508099, Compound 32...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1
Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)
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n/an/an/an/a 3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385115
PNG
(US10287267, Compound 271 | US10508099, Compound 27...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C21H23F3N6O/c1-29-13-18(27-28-29)15-2-3-16-12-25-19(11-17(16)10-15)26-20(31)14-4-7-30(8-5-14)9-6-21(22,23)24/h2-3,10-14H,4-9H2,1H3,(H,25,26,31)
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n/an/an/an/a 3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293647
PNG
(US10106527, Compound 445 | US10544128, Compound 44...)
Show SMILES CN1CCN(CC1)c1cc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)ccn1
Show InChI InChI=1S/C24H26N8O/c1-30-7-9-32(10-8-30)23-11-17(5-6-25-23)12-24(33)27-22-14-20-13-18(3-4-19(20)15-26-22)21-16-31(2)29-28-21/h3-6,11,13-16H,7-10,12H2,1-2H3,(H,26,27,33)
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Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10544128 (2020)


BindingDB Entry DOI: 10.7270/Q2H134DS
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM442924
PNG
(US10653688, Compound 103)
Show SMILES FC1(CNc2cncc(n2)-c2ccc3cnc(NC(=O)C4CC4)cc3c2)CNC1
Show InChI InChI=1S/C21H21FN6O/c22-21(10-24-11-21)12-26-19-9-23-8-17(27-19)14-3-4-15-7-25-18(6-16(15)5-14)28-20(29)13-1-2-13/h3-9,13,24H,1-2,10-12H2,(H,26,27)(H,25,28,29)
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Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10653688 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293647
PNG
(US10106527, Compound 445 | US10544128, Compound 44...)
Show SMILES CN1CCN(CC1)c1cc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)ccn1
Show InChI InChI=1S/C24H26N8O/c1-30-7-9-32(10-8-30)23-11-17(5-6-25-23)12-24(33)27-22-14-20-13-18(3-4-19(20)15-26-22)21-16-31(2)29-28-21/h3-6,11,13-16H,7-10,12H2,1-2H3,(H,26,27,33)
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n/an/an/an/a 3n/an/an/a25



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &#...


US Patent US10106527 (2018)


BindingDB Entry DOI: 10.7270/Q2PN97Q3
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385115
PNG
(US10287267, Compound 271 | US10508099, Compound 27...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C21H23F3N6O/c1-29-13-18(27-28-29)15-2-3-16-12-25-19(11-17(16)10-15)26-20(31)14-4-7-30(8-5-14)9-6-21(22,23)24/h2-3,10-14H,4-9H2,1H3,(H,25,26,31)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293647
PNG
(US10106527, Compound 445 | US10544128, Compound 44...)
Show SMILES CN1CCN(CC1)c1cc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)ccn1
Show InChI InChI=1S/C24H26N8O/c1-30-7-9-32(10-8-30)23-11-17(5-6-25-23)12-24(33)27-22-14-20-13-18(3-4-19(20)15-26-22)21-16-31(2)29-28-21/h3-6,11,13-16H,7-10,12H2,1-2H3,(H,26,27,33)
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Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologiesa Div...


US Patent US9951048 (2018)


BindingDB Entry DOI: 10.7270/Q2862JRD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385115
PNG
(US10287267, Compound 271 | US10508099, Compound 27...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CCC(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C21H23F3N6O/c1-29-13-18(27-28-29)15-2-3-16-12-25-19(11-17(16)10-15)26-20(31)14-4-7-30(8-5-14)9-6-21(22,23)24/h2-3,10-14H,4-9H2,1H3,(H,25,26,31)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385165
PNG
(US10287267, Compound 325 | US10508099, Compound 32...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1
Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385165
PNG
(US10287267, Compound 325 | US10508099, Compound 32...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(C4)C(=O)C(F)(F)F)cc2c1
Show InChI InChI=1S/C22H20F3N5O2/c1-29-10-17(9-27-29)13-2-3-14-8-26-18(5-15(14)4-13)28-19(31)16-6-21(7-16)11-30(12-21)20(32)22(23,24)25/h2-5,8-10,16H,6-7,11-12H2,1H3,(H,26,28,31)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484728
PNG
(US10934297, Compound 141)
Show SMILES CN1CCC(CC1)n1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)cn1
Show InChI InChI=1S/C21H24N8O/c1-27-7-5-17(6-8-27)29-13-16(11-23-29)24-21(30)20-18-9-14(3-4-19(18)25-26-20)15-10-22-28(2)12-15/h3-4,9-13,17H,5-8H2,1-2H3,(H,24,30)(H,25,26)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...


US Patent US10934297 (2021)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459185
PNG
(US10759799, Compound 6)
Show SMILES O=C1CCc2cccc(c2)-c2cccc3[nH]c(nc23)-c2n[nH]c3cnc(cc23)-c2cncc(N1)c2
Show InChI InChI=1S/C27H19N7O/c35-24-8-7-15-3-1-4-16(9-15)19-5-2-6-21-25(19)32-27(31-21)26-20-11-22(29-14-23(20)33-34-26)17-10-18(30-24)13-28-12-17/h1-6,9-14H,7-8H2,(H,30,35)(H,31,32)(H,33,34)
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Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM459188
PNG
(US10759799, Compound 10)
Show SMILES C1NCc2cncc(c2)-c2ccc3[nH]nc(-c4nc5c(cccc5[nH]4)-c4cccc1c4)c3c2
Show InChI InChI=1S/C27H20N6/c1-3-16-9-19(4-1)21-5-2-6-24-25(21)31-27(30-24)26-22-11-18(7-8-23(22)32-33-26)20-10-17(13-28-12-16)14-29-15-20/h1-11,14-15,28H,12-13H2,(H,30,31)(H,32,33)
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Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10759799 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385215
PNG
(US10287267, Compound 470 | US10508099, Compound 47...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)
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Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM442933
PNG
(US10653688, Compound 111)
Show SMILES F[C@H]1CNCCC1Nc1cncc(n1)-c1ccc2cnc(NC(=O)C3CC3)cc2c1
Show InChI InChI=1S/C22H23FN6O/c23-17-10-24-6-5-18(17)27-21-12-25-11-19(28-21)14-3-4-15-9-26-20(8-16(15)7-14)29-22(30)13-1-2-13/h3-4,7-9,11-13,17-18,24H,1-2,5-6,10H2,(H,27,28)(H,26,29,30)/t17-,18?/m0/s1
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Samumed, LLC

US Patent


Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


US Patent US10653688 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385215
PNG
(US10287267, Compound 470 | US10508099, Compound 47...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385215
PNG
(US10287267, Compound 470 | US10508099, Compound 47...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCN(CC4(CC4)C(F)(F)F)CC3)cc2c1
Show InChI InChI=1S/C23H25F3N6O/c1-31-13-19(29-30-31)16-2-3-17-12-27-20(11-18(17)10-16)28-21(33)15-4-8-32(9-5-15)14-22(6-7-22)23(24,25)26/h2-3,10-13,15H,4-9,14H2,1H3,(H,27,28,33)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385219
PNG
(US10287267, Compound 481 | US10508099, Compound 48...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)[C@@H]3CCCNC3)cc2c1
Show InChI InChI=1S/C18H20N6O/c1-24-11-16(22-23-24)12-4-5-13-10-20-17(8-15(13)7-12)21-18(25)14-3-2-6-19-9-14/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3,(H,20,21,25)/t14-/m1/s1
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Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484727
PNG
(US10934297, Compound 140)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3cnn(c3)C3CCNCC3)c2c1
Show InChI InChI=1S/C20H22N8O/c1-27-11-14(9-22-27)13-2-3-18-17(8-13)19(26-25-18)20(29)24-15-10-23-28(12-15)16-4-6-21-7-5-16/h2-3,8-12,16,21H,4-7H2,1H3,(H,24,29)(H,25,26)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...


US Patent US10934297 (2021)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484629
PNG
(US10934297, Compound 23)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CC(F)C4)CC3)c2c1
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...


US Patent US10934297 (2021)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385254
PNG
(US10287267, Compound 791 | US10508099, Compound 79...)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385267
PNG
(US10287267, Compound 921 | US10508099, Compound 92...)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2c1
Show InChI InChI=1S/C25H23N5O2S/c1-16-28-29-24(33-16)19-7-8-20-15-26-22(14-21(20)13-19)27-23(31)17-9-11-30(12-10-17)25(32)18-5-3-2-4-6-18/h2-8,13-15,17H,9-12H2,1H3,(H,26,27,31)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385267
PNG
(US10287267, Compound 921 | US10508099, Compound 92...)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2c1
Show InChI InChI=1S/C25H23N5O2S/c1-16-28-29-24(33-16)19-7-8-20-15-26-22(14-21(20)13-19)27-23(31)17-9-11-30(12-10-17)25(32)18-5-3-2-4-6-18/h2-8,13-15,17H,9-12H2,1H3,(H,26,27,31)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385254
PNG
(US10287267, Compound 791 | US10508099, Compound 79...)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385267
PNG
(US10287267, Compound 921 | US10508099, Compound 92...)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)C3CCN(CC3)C(=O)c3ccccc3)cc2c1
Show InChI InChI=1S/C25H23N5O2S/c1-16-28-29-24(33-16)19-7-8-20-15-26-22(14-21(20)13-19)27-23(31)17-9-11-30(12-10-17)25(32)18-5-3-2-4-6-18/h2-8,13-15,17H,9-12H2,1H3,(H,26,27,31)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385210
PNG
(US10287267, Compound 441 | US10508099, Compound 44...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)C3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C19H19F2N5O/c1-26-11-16(24-25-26)13-2-3-14-10-22-17(9-15(14)8-13)23-18(27)12-4-6-19(20,21)7-5-12/h2-3,8-12H,4-7H2,1H3,(H,22,23,27)
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385254
PNG
(US10287267, Compound 791 | US10508099, Compound 79...)
Show SMILES Cn1ncc(c1CN1CCCCC1)-c1ccc2cnc(NC(=O)C3CC4(C3)CN(CCF)C4)cc2c1
Show InChI InChI=1S/C28H35FN6O/c1-33-25(17-34-8-3-2-4-9-34)24(16-31-33)20-5-6-21-15-30-26(12-22(21)11-20)32-27(36)23-13-28(14-23)18-35(19-28)10-7-29/h5-6,11-12,15-16,23H,2-4,7-10,13-14,17-19H2,1H3,(H,30,32,36)
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Samumed, LLC

US Patent


Assay Description
Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response curves f...


US Patent US10287267 (2019)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439235
PNG
(US10604514, Compound 125)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCn4ccnc4C3)cc2c1
Show InChI InChI=1S/C19H17N7OS/c1-12-23-24-18(28-12)13-2-3-14-10-21-16(9-15(14)8-13)22-19(27)26-7-6-25-5-4-20-17(25)11-26/h2-5,8-10H,6-7,11H2,1H3,(H,21,22,27)
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Samumed, LLC

US Patent


Assay Description
Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1Ă— Kinase buffer to final concentrations of 0.04 μg/mL, 46 &...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM484675
PNG
(US10934297, Compound 68)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1
Show InChI InChI=1S/C23H24N6O/c1-28-15-18(13-24-28)17-6-9-21-20(12-17)22(27-26-21)23(30)25-19-7-4-16(5-8-19)14-29-10-2-3-11-29/h4-9,12-13,15H,2-3,10-11,14H2,1H3,(H,25,30)(H,26,27)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...


US Patent US10934297 (2021)

More data for this
Ligand-Target Pair
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