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Compile Data Set for Download or QSAR

Found 2503 hits of ec50 data for polymerid = 1003   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM293492
PNG
(US10106527, Compound 108)
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)

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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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))
BDBM293490
PNG
(US10106527, Compound 106)
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)

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


(Homo sapiens (human))
BDBM293647
PNG
(US10106527, Compound 445)
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)

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


(Homo sapiens (human))
BDBM50386932
PNG
(CHEMBL2048677)
Show SMILES COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H14FN5O2/c1-27-15-7-8-21-10-14(15)23-19(26)13-6-9-22-18-16(13)24-17(25-18)11-2-4-12(20)5-3-11/h2-10H,1H3,(H,23,26)(H,22,24,25)
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n/an/an/an/a 9n/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))
BDBM293489
PNG
(US10106527, Compound 105)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)Cc3cccnc3)cc2c1
Show InChI InChI=1S/C20H17N5O/c1-25-13-18(12-23-25)15-4-5-16-11-22-19(9-17(16)8-15)24-20(26)7-14-3-2-6-21-10-14/h2-6,8-13H,7H2,1H3,(H,22,24,26)
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n/an/an/an/a 9n/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)

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


(Homo sapiens (human))
BDBM50386939
PNG
(CHEMBL2048684)
Show SMILES COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-15-6-7-21-10-14(15)23-19(26)13-5-8-22-18-16(13)24-17(25-18)11-3-2-4-12(20)9-11/h2-10H,1H3,(H,23,26)(H,22,24,25)
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n/an/an/an/a 10n/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))
BDBM50386937
PNG
(CHEMBL2048682)
Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccnc1
Show InChI InChI=1S/C19H16N6O2/c1-2-27-15-6-8-21-11-14(15)23-19(26)13-5-9-22-18-16(13)24-17(25-18)12-4-3-7-20-10-12/h3-11H,2H2,1H3,(H,23,26)(H,22,24,25)
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n/an/an/an/a 10n/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))
BDBM50386938
PNG
(CHEMBL2048683)
Show SMILES CCOc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1cccc(OC)c1
Show InChI InChI=1S/C21H19N5O3/c1-3-29-17-8-9-22-12-16(17)24-21(27)15-7-10-23-20-18(15)25-19(26-20)13-5-4-6-14(11-13)28-2/h4-12H,3H2,1-2H3,(H,24,27)(H,23,25,26)
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n/an/an/an/a 10n/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))
BDBM50386917
PNG
(CHEMBL2048662)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-16-5-3-14(4-6-16)7-10-23-21(27)17-8-11-22-20-18(17)24-19(25-20)15-9-12-30-13-15/h3-6,8-9,11-13,26H,2,7,10H2,1H3,(H,23,27)(H,22,24,25)
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n/an/an/an/a 10n/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))
BDBM293652
PNG
(US10106527, Compound 458)
Show SMILES CN1CCN(CC1)c1cc(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)ccn1
Show InChI InChI=1S/C25H27N7O/c1-30-7-9-32(10-8-30)24-11-18(5-6-26-24)12-25(33)29-23-14-21-13-19(3-4-20(21)15-27-23)22-16-28-31(2)17-22/h3-6,11,13-17H,7-10,12H2,1-2H3,(H,27,29,33)
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n/an/an/an/a 10n/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)

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


(Homo sapiens (human))
BDBM293491
PNG
(US10106527, Compound 107)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)Cc3ccncc3)cc2c1
Show InChI InChI=1S/C20H17N5O/c1-25-13-18(12-23-25)15-2-3-16-11-22-19(10-17(16)9-15)24-20(26)8-14-4-6-21-7-5-14/h2-7,9-13H,8H2,1H3,(H,22,24,26)
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n/an/an/an/a 10n/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)

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


(Homo sapiens (human))
BDBM293488
PNG
(US10106527, Compound 104)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CCc3ccccc3)cc2c1
Show InChI InChI=1S/C22H20N4O/c1-26-15-20(14-24-26)17-8-9-18-13-23-21(12-19(18)11-17)25-22(27)10-7-16-5-3-2-4-6-16/h2-6,8-9,11-15H,7,10H2,1H3,(H,23,25,27)
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n/an/an/an/a 12n/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)

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


(Homo sapiens (human))
BDBM50365611
PNG
(CHEMBL1957948)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2F)cc1
Show InChI InChI=1S/C23H20F2N4O4S/c1-34(32,33)29-15-5-2-13(3-6-15)10-11-26-23(31)17-8-9-19(30)21-20(17)27-22(28-21)16-7-4-14(24)12-18(16)25/h2-9,12,29-30H,10-11H2,1H3,(H,26,31)(H,27,28)
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n/an/an/an/a 13n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells assessed as glycogen synthase activation measured after 24 hrs under serum starving condition


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50386940
PNG
(CHEMBL2048685)
Show SMILES COc1ccncc1NC(=O)c1ccnc2nc([nH]c12)-c1ccncc1
Show InChI InChI=1S/C18H14N6O2/c1-26-14-5-8-20-10-13(14)22-18(25)12-4-9-21-17-15(12)23-16(24-17)11-2-6-19-7-3-11/h2-10H,1H3,(H,22,25)(H,21,23,24)
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n/an/an/an/a 20n/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))
BDBM50386931
PNG
(CHEMBL2048676)
Show SMILES CCN(CC)c1ccc(cc1)-c1nc2nccc(C(=O)Nc3cnccc3C)c2[nH]1
Show InChI InChI=1S/C23H24N6O/c1-4-29(5-2)17-8-6-16(7-9-17)21-27-20-18(11-13-25-22(20)28-21)23(30)26-19-14-24-12-10-15(19)3/h6-14H,4-5H2,1-3H3,(H,26,30)(H,25,27,28)
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n/an/an/an/a 23n/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))
BDBM50386914
PNG
(CHEMBL2048659)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H22FN5O3S/c1-2-33(31,32)29-18-9-3-15(4-10-18)11-13-26-23(30)19-12-14-25-22-20(19)27-21(28-22)16-5-7-17(24)8-6-16/h3-10,12,14,29H,2,11,13H2,1H3,(H,26,30)(H,25,27,28)
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n/an/an/an/a 31n/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))
BDBM50365614
PNG
(CHEMBL1957959)
Show SMILES Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1cccs1
Show InChI InChI=1S/C18H15Cl2N5O2S/c19-15-16(20)25(9-22-15)7-2-6-21-18(27)10-4-5-11(26)14-13(10)23-17(24-14)12-3-1-8-28-12/h1,3-5,8-9,26H,2,6-7H2,(H,21,27)(H,23,24)
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n/an/an/an/a 34n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365612
PNG
(CHEMBL1957960)
Show SMILES Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccco1
Show InChI InChI=1S/C18H15Cl2N5O3/c19-15-16(20)25(9-22-15)7-2-6-21-18(27)10-4-5-11(26)14-13(10)23-17(24-14)12-3-1-8-28-12/h1,3-5,8-9,26H,2,6-7H2,(H,21,27)(H,23,24)
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n/an/an/an/a 40n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells assessed as glycogen synthase activation measured after 24 hrs under serum starving condition


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM293487
PNG
(US10106527, Compound 103)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)Cc3ccccc3)cc2c1
Show InChI InChI=1S/C21H18N4O/c1-25-14-19(13-23-25)16-7-8-17-12-22-20(11-18(17)10-16)24-21(26)9-15-5-3-2-4-6-15/h2-8,10-14H,9H2,1H3,(H,22,24,26)
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n/an/an/an/a 40n/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)

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


(Homo sapiens (human))
BDBM50386930
PNG
(CHEMBL2048675)
Show SMILES Cc1ccncc1NC(=O)c1ccnc2nc([nH]c12)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C23H22N6O/c1-15-7-10-24-13-19(15)26-22(30)18-8-11-25-21-20(18)27-23(28-21)29-12-9-17(14-29)16-5-3-2-4-6-16/h2-8,10-11,13,17H,9,12,14H2,1H3,(H,26,30)(H,25,27,28)
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n/an/an/an/a 40n/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))
BDBM50147458
PNG
((3-{3-[4-(2-Methoxy-phenyl)-2,5-dioxo-2,5-dihydro-...)
Show SMILES COc1ccccc1C1=C(C(=O)NC1=O)c1cn(CCCNC(=O)OC(C)(C)C)c2ncccc12
Show InChI InChI=1S/C26H28N4O5/c1-26(2,3)35-25(33)28-13-8-14-30-15-18(16-10-7-12-27-22(16)30)21-20(23(31)29-24(21)32)17-9-5-6-11-19(17)34-4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,28,33)(H,29,31,32)
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n/an/an/an/a 40n/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Effective concentration of compound against glycogen synthase kinase-3 in HEK293 cells


Bioorg Med Chem Lett 14: 3245-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.090
BindingDB Entry DOI: 10.7270/Q2W958NH
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50386916
PNG
(CHEMBL2048661)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2cccs2)cc1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-15-7-5-14(6-8-15)9-11-23-21(27)16-10-12-22-20-18(16)24-19(25-20)17-4-3-13-30-17/h3-8,10,12-13,26H,2,9,11H2,1H3,(H,23,27)(H,22,24,25)
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n/an/an/an/a 50n/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))
BDBM50365612
PNG
(CHEMBL1957960)
Show SMILES Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccco1
Show InChI InChI=1S/C18H15Cl2N5O3/c19-15-16(20)25(9-22-15)7-2-6-21-18(27)10-4-5-11(26)14-13(10)23-17(24-14)12-3-1-8-28-12/h1,3-5,8-9,26H,2,6-7H2,(H,21,27)(H,23,24)
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n/an/an/an/a 50n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50386927
PNG
(CHEMBL2048672)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
Show InChI InChI=1S/C21H22N6O3S2/c1-27(2)32(29,30)26-16-5-3-14(4-6-16)7-10-23-21(28)17-8-11-22-20-18(17)24-19(25-20)15-9-12-31-13-15/h3-6,8-9,11-13,26H,7,10H2,1-2H3,(H,23,28)(H,22,24,25)
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n/an/an/an/a 56n/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))
BDBM50386912
PNG
(CHEMBL2048658)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccccc2)cc1
Show InChI InChI=1S/C23H23N5O3S/c1-2-32(30,31)28-18-10-8-16(9-11-18)12-14-25-23(29)19-13-15-24-22-20(19)26-21(27-22)17-6-4-3-5-7-17/h3-11,13,15,28H,2,12,14H2,1H3,(H,25,29)(H,24,26,27)
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n/an/an/an/a 62n/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))
BDBM63909
PNG
(3-[[4-[6-(3-chloroanilino)-4-pyrimidinyl]-2-pyrimi...)
Show SMILES OCCCNc1nccc(n1)-c1cc(Nc2cccc(Cl)c2)ncn1
Show InChI InChI=1S/C17H17ClN6O/c18-12-3-1-4-13(9-12)23-16-10-15(21-11-22-16)14-5-7-20-17(24-14)19-6-2-8-25/h1,3-5,7,9-11,25H,2,6,8H2,(H,19,20,24)(H,21,22,23)
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n/an/an/an/a 77.9n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365606
PNG
(CHEMBL1957953)
Show SMILES OC(=O)COc1cccc(CCCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C25H22ClN3O5/c26-17-8-6-16(7-9-17)24-28-22-19(10-11-20(30)23(22)29-24)25(33)27-12-2-4-15-3-1-5-18(13-15)34-14-21(31)32/h1,3,5-11,13,30H,2,4,12,14H2,(H,27,33)(H,28,29)(H,31,32)
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n/an/an/an/a 80n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells assessed as glycogen synthase activation measured after 24 hrs under serum starving condition


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50386934
PNG
(CHEMBL2048679)
Show SMILES Cc1ccc(NC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C19H14FN5O/c1-11-2-7-14(10-22-11)23-19(26)15-8-9-21-18-16(15)24-17(25-18)12-3-5-13(20)6-4-12/h2-10H,1H3,(H,23,26)(H,21,24,25)
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n/an/an/an/a 80n/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))
BDBM293616
PNG
(US10106527, Compound 388)
Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncs1
Show InChI InChI=1S/C22H21N7OS/c1-28-6-8-29(9-7-28)20-5-4-17(13-24-20)21(30)26-19-11-18-10-15(22-27-25-14-31-22)2-3-16(18)12-23-19/h2-5,10-14H,6-9H2,1H3,(H,23,26,30)
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US Patent
n/an/an/an/a 85n/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)

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


(Homo sapiens (human))
BDBM50365605
PNG
(CHEMBL1957952)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H25FN4O4S/c1-18-2-12-23(13-3-18)39(37,38)34-22-10-4-19(5-11-22)16-17-31-29(36)24-14-15-25(35)27-26(24)32-28(33-27)20-6-8-21(30)9-7-20/h2-15,34-35H,16-17H2,1H3,(H,31,36)(H,32,33)
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n/an/an/an/a 95n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM46340
PNG
(MLS000041975 | N-(1-isobutyl-6-methoxy-pyrazolo[3,...)
Show SMILES COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1
Show InChI InChI=1S/C20H20N4O2S/c1-12(2)11-24-19-15(10-13-9-14(26-3)6-7-16(13)21-19)18(23-24)22-20(25)17-5-4-8-27-17/h4-10,12H,11H2,1-3H3,(H,22,23,25)
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n/an/an/an/a 95.1n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM293544
PNG
(US10106527, Compound 233)
Show SMILES CN1CCN(CC1)c1ccc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1
Show InChI InChI=1S/C23H24N8O/c1-29-7-9-31(10-8-29)22-6-5-18(14-25-22)23(32)26-21-12-19-11-16(3-4-17(19)13-24-21)20-15-30(2)28-27-20/h3-6,11-15H,7-10H2,1-2H3,(H,24,26,32)
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US Patent
n/an/an/an/a 100n/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)

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


(Homo sapiens (human))
BDBM50365609
PNG
(CHEMBL1957956)
Show SMILES Oc1ccc(C(=O)NCCCn2ccnc2)c2[nH]c(nc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H17ClFN5O2/c21-14-10-12(2-4-15(14)22)19-25-17-13(3-5-16(28)18(17)26-19)20(29)24-6-1-8-27-9-7-23-11-27/h2-5,7,9-11,28H,1,6,8H2,(H,24,29)(H,25,26)
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n/an/an/an/a 100n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells assessed as glycogen synthase activation measured after 24 hrs under serum starving condition


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM293615
PNG
(US10106527, Compound 387)
Show SMILES CNC(=O)c1ccc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncs1
Show InChI InChI=1S/C19H14N6O2S/c1-20-18(27)15-5-4-13(9-21-15)17(26)24-16-7-14-6-11(19-25-23-10-28-19)2-3-12(14)8-22-16/h2-10H,1H3,(H,20,27)(H,22,24,26)
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n/an/an/an/a 101n/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)

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


(Homo sapiens (human))
BDBM70041
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmeth...)
Show SMILES CCOc1ccccc1C=NNC(=O)c1nnn(c1CN1CCCCCC1)-c1nonc1N
Show InChI InChI=1S/C21H27N9O3/c1-2-32-17-10-6-5-9-15(17)13-23-25-21(31)18-16(14-29-11-7-3-4-8-12-29)30(28-24-18)20-19(22)26-33-27-20/h5-6,9-10,13H,2-4,7-8,11-12,14H2,1H3,(H2,22,26)(H,25,31)
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n/an/an/an/a 105n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365608
PNG
(CHEMBL1957955)
Show SMILES Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H15Cl4N5O2/c21-10-2-3-11(13(22)8-10)19-27-15-12(4-5-14(30)16(15)28-19)20(31)25-6-1-7-29-9-26-17(23)18(29)24/h2-5,8-9,30H,1,6-7H2,(H,25,31)(H,27,28)
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n/an/an/an/a 110n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM293543
PNG
(US10106527, Compound 232)
Show SMILES CNC(=O)c1ccc(cn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cn(C)nn1
Show InChI InChI=1S/C20H17N7O2/c1-21-20(29)16-6-5-14(10-22-16)19(28)24-18-8-15-7-12(3-4-13(15)9-23-18)17-11-27(2)26-25-17/h3-11H,1-2H3,(H,21,29)(H,23,24,28)
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n/an/an/an/a 112n/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)

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


(Homo sapiens (human))
BDBM69916
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[2-[(2-chloro-...)
Show SMILES CN(C)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1ccccc1OCc1c(F)cccc1Cl
Show InChI InChI=1S/C22H21ClFN9O3/c1-32(2)11-17-19(27-31-33(17)21-20(25)29-36-30-21)22(34)28-26-10-13-6-3-4-9-18(13)35-12-14-15(23)7-5-8-16(14)24/h3-10H,11-12H2,1-2H3,(H2,25,29)(H,28,34)
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n/an/an/an/a 116n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50365601
PNG
(CHEMBL1957947)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3nc([nH]c23)-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C23H21ClN4O4S/c1-33(31,32)28-17-8-2-14(3-9-17)12-13-25-23(30)18-10-11-19(29)21-20(18)26-22(27-21)15-4-6-16(24)7-5-15/h2-11,28-29H,12-13H2,1H3,(H,25,30)(H,26,27)
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n/an/an/an/a 120n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50386920
PNG
(CHEMBL2048665)
Show SMILES Fc1ccc(cc1)-c1nc2nccc(C(=O)Nc3cccnc3)c2[nH]1
Show InChI InChI=1S/C18H12FN5O/c19-12-5-3-11(4-6-12)16-23-15-14(7-9-21-17(15)24-16)18(25)22-13-2-1-8-20-10-13/h1-10H,(H,22,25)(H,21,23,24)
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n/an/an/an/a 130n/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))
BDBM293622
PNG
(US10106527, Compound 406)
Show SMILES CN(C)C1CN(C1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C23H23N7OS/c1-14-27-28-23(32-14)16-4-5-17-11-25-20(9-18(17)8-16)26-22(31)15-6-7-24-21(10-15)30-12-19(13-30)29(2)3/h4-11,19H,12-13H2,1-3H3,(H,25,26,31)
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US Patent
n/an/an/an/a 142n/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)

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


(Homo sapiens (human))
BDBM50386922
PNG
(CHEMBL2048666)
Show SMILES Oc1cccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C21H17FN4O2/c22-15-6-4-14(5-7-15)19-25-18-17(9-11-23-20(18)26-19)21(28)24-10-8-13-2-1-3-16(27)12-13/h1-7,9,11-12,27H,8,10H2,(H,24,28)(H,23,25,26)
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n/an/an/an/a 150n/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))
BDBM50386926
PNG
(CHEMBL2048671)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2cccs2)cc1
Show InChI InChI=1S/C20H19N5O3S2/c1-30(27,28)25-14-6-4-13(5-7-14)8-10-22-20(26)15-9-11-21-19-17(15)23-18(24-19)16-3-2-12-29-16/h2-7,9,11-12,25H,8,10H2,1H3,(H,22,26)(H,21,23,24)
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n/an/an/an/a 150n/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))
BDBM50365608
PNG
(CHEMBL1957955)
Show SMILES Oc1ccc(C(=O)NCCCn2cnc(Cl)c2Cl)c2[nH]c(nc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H15Cl4N5O2/c21-10-2-3-11(13(22)8-10)19-27-15-12(4-5-14(30)16(15)28-19)20(31)25-6-1-7-29-9-26-17(23)18(29)24/h2-5,8-9,30H,1,6-7H2,(H,25,31)(H,27,28)
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n/an/an/an/a 170n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta in human RD cells assessed as glycogen synthase activation measured after 24 hrs under serum starving condition


Bioorg Med Chem Lett 22: 1891-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.065
BindingDB Entry DOI: 10.7270/Q2SX6DQQ
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM69530
PNG
((4-Amino-2-phenylamino-thiazol-5-yl)-phenyl-methan...)
Show SMILES Nc1nc(Nc2ccccc2)sc1C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3OS/c17-15-14(13(20)11-7-3-1-4-8-11)21-16(19-15)18-12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
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n/an/an/an/a 171n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM68412
PNG
(MLS000040056 | SMR000042603 | [4-amino-2-(ethylami...)
Show SMILES CCNc1nc(N)c(s1)C(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C10H10ClN3OS2/c1-2-13-10-14-9(12)8(17-10)7(15)5-3-4-6(11)16-5/h3-4H,2,12H2,1H3,(H,13,14)
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PCBioAssay
n/an/an/an/a 174n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50130730
PNG
(1-(4-Amino-furazan-3-yl)-5-diethylaminomethyl-1H-[...)
Show SMILES CCN(CC)Cc1c(nnn1-c1nonc1N)C(=O)N\N=C\c1ccncc1
Show InChI InChI=1S/C16H20N10O2/c1-3-25(4-2)10-12-13(20-24-26(12)15-14(17)22-28-23-15)16(27)21-19-9-11-5-7-18-8-6-11/h5-9H,3-4,10H2,1-2H3,(H2,17,22)(H,21,27)/b19-9+
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n/an/an/an/a 177n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM50386925
PNG
(CHEMBL2048670)
Show SMILES CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccoc2)cc1
Show InChI InChI=1S/C20H19N5O4S/c1-30(27,28)25-15-4-2-13(3-5-15)6-9-22-20(26)16-7-10-21-19-17(16)23-18(24-19)14-8-11-29-12-14/h2-5,7-8,10-12,25H,6,9H2,1H3,(H,22,26)(H,21,23,24)
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n/an/an/an/a 180n/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))
BDBM50130724
PNG
(1-(4-Amino-furazan-3-yl)-5-piperidin-1-ylmethyl-1H...)
Show SMILES Nc1nonc1-n1nnc(C(=O)N\N=C\c2ccncc2)c1CN1CCCCC1
Show InChI InChI=1S/C17H20N10O2/c18-15-16(24-29-23-15)27-13(11-26-8-2-1-3-9-26)14(21-25-27)17(28)22-20-10-12-4-6-19-7-5-12/h4-7,10H,1-3,8-9,11H2,(H2,18,23)(H,22,28)/b20-10+
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n/an/an/an/a 181n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
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