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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 8662   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM255476
PNG
(US10125100, Example 1 | US10392346, Example 1 | US...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H37N5O8S/c1-36(2,3)21-17-28(33(48-5)29(18-21)41-50(6,45)46)40-35(44)39-27-13-14-30(25-10-8-7-9-24(25)27)49-23-15-16-37-32(20-23)38-22-11-12-26(34(42)43)31(19-22)47-4/h7-20,41H,1-6H3,(H,37,38)(H,42,43)(H2,39,40,44)
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n/an/a 115n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298376
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(O)=O
Show InChI InChI=1S/C36H35N5O7/c1-36(2,3)20-16-26(33(37)42)32(47-5)28(17-20)41-35(45)40-27-12-13-29(24-9-7-6-8-23(24)27)48-22-14-15-38-31(19-22)39-21-10-11-25(34(43)44)30(18-21)46-4/h6-19H,1-5H3,(H2,37,42)(H,38,39)(H,43,44)(H2,40,41,45)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298414
PNG
(US10125100, Example 17(t) | US10392346, Example 17...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cc4)C(O)=O)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C35H35N5O7S/c1-35(2,3)22-18-28(32(46-4)29(19-22)40-48(5,44)45)39-34(43)38-27-14-15-30(26-9-7-6-8-25(26)27)47-24-16-17-36-31(20-24)37-23-12-10-21(11-13-23)33(41)42/h6-20,40H,1-5H3,(H,36,37)(H,41,42)(H2,38,39,43)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298448
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(O)=O
Show InChI InChI=1S/C37H39N5O9S/c1-37(2,3)21-16-27(34(50-6)28(17-21)42-52(7,46)47)41-36(45)40-26-12-13-29(25-11-9-8-10-24(25)26)51-23-14-15-38-32(20-23)39-22-18-30(48-4)33(35(43)44)31(19-22)49-5/h8-20,42H,1-7H3,(H,38,39)(H,43,44)(H2,40,41,45)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298413
PNG
(US10125100, Example 17(s) | US10392346, Example 17...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCCC(O)=O
Show InChI InChI=1S/C41H46N6O9S/c1-41(2,3)25-21-32(38(55-5)33(22-25)47-57(6,52)53)46-40(51)45-31-16-17-34(29-12-8-7-11-28(29)31)56-27-18-20-42-36(24-27)44-26-14-15-30(35(23-26)54-4)39(50)43-19-10-9-13-37(48)49/h7-8,11-12,14-18,20-24,47H,9-10,13,19H2,1-6H3,(H,42,44)(H,43,50)(H,48,49)(H2,45,46,51)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM337692
PNG
(US10392346, Example 17(x) | US10941115, Example 17...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)=O
Show InChI InChI=1S/C43H50N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,49H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H,50,51)(H2,47,48,53)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298403
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C41H48N8O8S/c1-41(2,3)26-23-32(37(55-5)33(24-26)48-58(6,52)53)46-40(51)45-31-13-14-34(29-10-8-7-9-28(29)31)57-36-15-16-43-39(47-36)44-27-11-12-30(35(25-27)54-4)38(50)42-17-18-49-19-21-56-22-20-49/h7-16,23-25,48H,17-22H2,1-6H3,(H,42,50)(H,43,44,47)(H2,45,46,51)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298422
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-6)36(25-28)48-59(7,53)54)47-42(52)46-34-14-15-37(32-11-9-8-10-31(32)34)58-30-16-17-44-39(27-30)45-29-12-13-33(38(26-29)55-5)41(51)49(4)18-19-50-20-22-57-23-21-50/h8-17,24-27,48H,18-23H2,1-7H3,(H,44,45)(H2,46,47,52)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298417
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCNCC1
Show InChI InChI=1S/C42H50N8O7S/c1-42(2,3)27-23-34(39(56-5)35(24-27)49-58(6,53)54)48-41(52)47-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-44-38(26-29)46-28-11-12-32(37(25-28)55-4)40(51)45-19-22-50-20-17-43-18-21-50/h7-16,23-26,43,49H,17-22H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298426
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-6)37(26-29)49-60(7,54)55)48-43(53)47-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)46-30-13-14-34(39(27-30)56-5)42(52)50(4)19-10-20-51-21-23-58-24-22-51/h8-9,11-18,25-28,49H,10,19-24H2,1-7H3,(H,45,46)(H2,47,48,53)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298400
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-19-22-52-21-10-20-51(4)23-24-52/h8-9,11-18,25-28,50H,10,19-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298382
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)CC1
Show InChI InChI=1S/C42H49N7O8S2/c1-42(2,3)27-23-34(39(56-5)35(24-27)48-59(6,53)54)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)55-4)40(50)44-17-18-49-19-21-58(52)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298386
PNG
(N-(5-(tert-Butyl)-2-methoxy-3-(3-(4-((2-((3-methox...)
Show SMILES COCCOCCOCCS(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O10S2/c1-42(2,3)28-24-34(40(54-6)35(25-28)47-59(7,50)51)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)57-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)53-5)58(49)23-22-56-21-20-55-19-18-52-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298380
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H52N6O10S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-60(7,52)53)48-42(51)47-34-14-15-37(32-11-9-8-10-31(32)34)59-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-5)41(50)45-18-19-57-22-23-58-21-20-54-4/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,50)(H2,47,48,51)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298431
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC1CCN(C)CC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-22-35(40(56-6)36(23-28)49-58(7,53)54)48-42(52)47-34-14-15-37(32-11-9-8-10-31(32)34)57-30-16-19-44-39(25-30)46-29-12-13-33(38(24-29)55-5)41(51)45-26-27-17-20-50(4)21-18-27/h8-16,19,22-25,27,49H,17-18,20-21,26H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298381
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C43H50N6O9/c1-43(2,3)27-23-33(40(44)50)39(55-6)35(24-27)49-42(52)48-34-13-14-36(31-10-8-7-9-30(31)34)58-29-15-16-45-38(26-29)47-28-11-12-32(37(25-28)54-5)41(51)46-17-18-56-21-22-57-20-19-53-4/h7-16,23-26H,17-22H2,1-6H3,(H2,44,50)(H,45,47)(H,46,51)(H2,48,49,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298411
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-57(6,52)53)47-41(51)46-33-15-16-36(31-12-8-7-11-30(31)33)56-29-17-18-43-38(26-29)45-28-13-14-32(37(25-28)54-4)40(50)44-19-22-49-20-9-10-21-49/h7-8,11-18,23-26,48H,9-10,19-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298404
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C42H49N7O7S/c1-42(2,3)26-22-34(39(55-6)35(23-26)48-57(7,52)53)47-41(51)46-33-14-15-36(31-11-9-8-10-30(31)33)56-29-16-19-43-38(25-29)44-28-12-13-32(37(24-28)54-5)40(50)45-27-17-20-49(4)21-18-27/h8-16,19,22-25,27,48H,17-18,20-21H2,1-7H3,(H,43,44)(H,45,50)(H2,46,47,51)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298379
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-3-carbamoyl-2-methoxy...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(C(N)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H47N7O7/c1-42(2,3)26-22-32(39(43)50)38(54-5)34(23-26)48-41(52)47-33-12-13-35(30-9-7-6-8-29(30)33)56-28-14-15-44-37(25-28)46-27-10-11-31(36(24-27)53-4)40(51)45-16-17-49-18-20-55-21-19-49/h6-15,22-25H,16-21H2,1-5H3,(H2,43,50)(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298390
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COCCOCCOCCS(=O)(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N5O11S2/c1-42(2,3)28-24-34(40(55-6)35(25-28)47-59(7,49)50)46-41(48)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)54-5)60(51,52)23-22-57-21-20-56-19-18-53-4/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,48)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298392
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCC1CCN(C)CC1
Show InChI InChI=1S/C44H53N7O7S/c1-44(2,3)29-24-36(41(57-6)37(25-29)50-59(7,54)55)49-43(53)48-35-14-15-38(33-11-9-8-10-32(33)35)58-31-17-21-45-40(27-31)47-30-12-13-34(39(26-30)56-5)42(52)46-20-16-28-18-22-51(4)23-19-28/h8-15,17,21,24-28,50H,16,18-20,22-23H2,1-7H3,(H,45,47)(H,46,52)(H2,48,49,53)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298415
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(cc4)C(=O)NCCN4CCOCC4)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C41H47N7O7S/c1-41(2,3)28-24-34(38(53-4)35(25-28)47-56(5,51)52)46-40(50)45-33-14-15-36(32-9-7-6-8-31(32)33)55-30-16-17-42-37(26-30)44-29-12-10-27(11-13-29)39(49)43-18-19-48-20-22-54-23-21-48/h6-17,24-26,47H,18-23H2,1-5H3,(H,42,44)(H,43,49)(H2,45,46,50)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298375
PNG
(4-((4-((4-(3-(5-(tert-Butyl)-2-methoxy-3-(methylsu...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C42H49N7O8S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-58(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)57-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-18-49-19-21-56-22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298430
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-20-51-21-10-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM411487
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCS(=O)CC1
Show InChI InChI=1S/C44H53N7O8S2/c1-44(2,3)29-25-36(41(58-6)37(26-29)49-61(7,55)56)48-43(53)47-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-18-45-40(28-31)46-30-13-14-34(39(27-30)57-5)42(52)50(4)19-10-20-51-21-23-60(54)24-22-51/h8-9,11-18,25-28,49H,10,19-24H2,1-7H3,(H,45,46)(H2,47,48,53)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298407
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(O)CC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)27-23-35(40(57-5)36(24-27)49-59(6,54)55)48-42(53)47-34-13-14-37(32-10-8-7-9-31(32)34)58-30-15-18-44-39(26-30)46-28-11-12-33(38(25-28)56-4)41(52)45-19-22-50-20-16-29(51)17-21-50/h7-15,18,23-26,29,49,51H,16-17,19-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298393
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(C(=O)NCCN5CCOCC5)c(c4)C#C)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C43H47N7O7S/c1-7-28-24-30(12-13-32(28)41(51)45-18-19-50-20-22-56-23-21-50)46-39-27-31(16-17-44-39)57-38-15-14-35(33-10-8-9-11-34(33)38)47-42(52)48-36-25-29(43(2,3)4)26-37(40(36)55-5)49-58(6,53)54/h1,8-17,24-27,49H,18-23H2,2-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298420
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(CCO)CC1
Show InChI InChI=1S/C44H54N8O8S/c1-44(2,3)29-25-36(41(59-5)37(26-29)50-61(6,56)57)49-43(55)48-35-13-14-38(33-10-8-7-9-32(33)35)60-31-15-16-45-40(28-31)47-30-11-12-34(39(27-30)58-4)42(54)46-17-18-51-19-21-52(22-20-51)23-24-53/h7-16,25-28,50,53H,17-24H2,1-6H3,(H,45,47)(H,46,54)(H2,48,49,55)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298421
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCN(C)CC1
Show InChI InChI=1S/C44H54N8O7S/c1-44(2,3)29-25-36(41(58-6)37(26-29)50-60(7,55)56)49-43(54)48-35-15-16-38(33-12-9-8-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)57-5)42(53)46-18-10-20-52-23-21-51(4)22-24-52/h8-9,11-17,19,25-28,50H,10,18,20-24H2,1-7H3,(H,45,47)(H,46,53)(H2,48,49,54)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298425
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O9S/c1-43(2,3)27-22-33(40(57-6)34(23-27)49-60(7,53)54)48-42(52)47-32-12-13-35(31-11-9-8-10-30(31)32)59-29-14-15-44-38(26-29)46-28-24-36(55-4)39(37(25-28)56-5)41(51)45-16-17-50-18-20-58-21-19-50/h8-15,22-26,49H,16-21H2,1-7H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298423
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN(C)CCO
Show InChI InChI=1S/C41H49N7O8S/c1-41(2,3)26-22-33(38(55-6)34(23-26)47-57(7,52)53)46-40(51)45-32-14-15-35(30-11-9-8-10-29(30)32)56-28-16-17-42-37(25-28)44-27-12-13-31(36(24-27)54-5)39(50)43-18-19-48(4)20-21-49/h8-17,22-25,47,49H,18-21H2,1-7H3,(H,42,44)(H,43,50)(H2,45,46,51)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298424
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COCCN(C)CCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC
Show InChI InChI=1S/C42H51N7O8S/c1-42(2,3)27-23-34(39(56-7)35(24-27)48-58(8,52)53)47-41(51)46-33-15-16-36(31-12-10-9-11-30(31)33)57-29-17-18-43-38(26-29)45-28-13-14-32(37(25-28)55-6)40(50)44-19-20-49(4)21-22-54-5/h9-18,23-26,48H,19-22H2,1-8H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298409
PNG
(1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCN1CCOCC1
Show InChI InChI=1S/C42H51N7O9S2/c1-42(2,3)28-24-34(40(56-6)35(25-28)47-59(7,51)52)46-41(50)45-33-13-14-36(32-11-9-8-10-31(32)33)58-30-16-17-43-39(27-30)44-29-12-15-38(37(26-29)55-5)60(53,54)48(4)18-19-49-20-22-57-23-21-49/h8-17,24-27,47H,18-23H2,1-7H3,(H,43,44)(H2,45,46,50)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298391
PNG
(1-[5-tert-Butyl-3-(methanesulfonamido)-2-methoxy-p...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1S(=O)(=O)N(C)CCCN1CCOCC1
Show InChI InChI=1S/C43H53N7O9S2/c1-43(2,3)29-25-35(41(57-6)36(26-29)48-60(7,52)53)47-42(51)46-34-14-15-37(33-12-9-8-11-32(33)34)59-31-17-18-44-40(28-31)45-30-13-16-39(38(27-30)56-5)61(54,55)49(4)19-10-20-50-21-23-58-24-22-50/h8-9,11-18,25-28,48H,10,19-24H2,1-7H3,(H,44,45)(H2,46,47,51)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298394
PNG
(4-[[4-[[4-[[5-tert-Butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCO
Show InChI InChI=1S/C42H50N6O10S/c1-42(2,3)27-23-34(39(55-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)54-4)40(50)44-17-19-56-21-22-57-20-18-49/h7-16,23-26,48-49H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298383
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-(2-(2...)
Show SMILES COCCOCCOCCOc1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1C#N
Show InChI InChI=1S/C42H48N6O9S/c1-42(2,3)29-24-35(40(53-5)36(25-29)48-58(6,50)51)47-41(49)46-34-12-14-38(33-10-8-7-9-32(33)34)57-31-15-16-44-39(26-31)45-30-11-13-37(28(23-30)27-43)56-22-21-55-20-19-54-18-17-52-4/h7-16,23-26,48H,17-22H2,1-6H3,(H,44,45)(H2,46,47,49)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM411450
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(C)CC1
Show InChI InChI=1S/C43H52N8O6S/c1-43(2,3)28-24-35(40(56-6)36(25-28)49-58(7)54)48-42(53)47-34-14-15-37(32-11-9-8-10-31(32)34)57-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-5)41(52)45-18-19-51-22-20-50(4)21-23-51/h8-17,24-27,49H,18-23H2,1-7H3,(H,44,46)(H,45,52)(H2,47,48,53)
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298412
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C42H49N7O9S2/c1-42(2,3)27-23-34(39(57-5)35(24-27)48-59(6,52)53)47-41(51)46-33-13-14-36(31-10-8-7-9-30(31)33)58-29-15-16-43-38(26-29)45-28-11-12-32(37(25-28)56-4)40(50)44-17-18-49-19-21-60(54,55)22-20-49/h7-16,23-26,48H,17-22H2,1-6H3,(H,43,45)(H,44,50)(H2,46,47,51)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298401
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COCCOCCOC[C@@H](C)NC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC |r|
Show InChI InChI=1S/C44H54N6O10S/c1-28(27-59-22-21-58-20-19-55-5)46-42(51)34-14-13-30(25-39(34)56-6)47-40-26-31(17-18-45-40)60-38-16-15-35(32-11-9-10-12-33(32)38)48-43(52)49-36-23-29(44(2,3)4)24-37(41(36)57-7)50-61(8,53)54/h9-18,23-26,28,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,51)(H2,48,49,52)/t28-/m1/s1
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298384
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(2-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C41H45N7O7S/c1-41(2,3)28-23-34(39(52-4)35(24-28)47-56(5,50)51)46-40(49)45-33-11-13-37(32-9-7-6-8-31(32)33)55-30-14-15-43-38(25-30)44-29-10-12-36(27(22-29)26-42)54-21-18-48-16-19-53-20-17-48/h6-15,22-25,47H,16-21H2,1-5H3,(H,43,44)(H2,45,46,49)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298402
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COCCOCCOC[C@H](C)NC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)cc1OC |r|
Show InChI InChI=1S/C44H54N6O10S/c1-28(27-59-22-21-58-20-19-55-5)46-42(51)34-14-13-30(25-39(34)56-6)47-40-26-31(17-18-45-40)60-38-16-15-35(32-11-9-10-12-33(32)38)48-43(52)49-36-23-29(44(2,3)4)24-37(41(36)57-7)50-61(8,53)54/h9-18,23-26,28,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,51)(H2,48,49,52)/t28-/m0/s1
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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298429
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-17-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-18-20-50-19-9-22-57-23-21-50/h7-8,10-17,24-27,49H,9,18-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298396
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C43H51N7O8S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-59(6,53)54)48-42(52)47-34-14-15-37(32-11-8-7-10-31(32)34)58-30-16-18-44-39(27-30)46-29-12-13-33(38(26-29)55-4)41(51)45-17-9-19-50-20-22-57-23-21-50/h7-8,10-16,18,24-27,49H,9,17,19-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298410
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C43H51N7O7S/c1-43(2,3)28-24-35(40(56-5)36(25-28)49-58(6,53)54)48-42(52)47-34-16-17-37(32-13-9-8-12-31(32)34)57-30-18-19-44-39(27-30)46-29-14-15-33(38(26-29)55-4)41(51)45-20-23-50-21-10-7-11-22-50/h8-9,12-19,24-27,49H,7,10-11,20-23H2,1-6H3,(H,44,46)(H,45,51)(H2,47,48,52)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298385
PNG
(N-(5-(tert-Butyl)-3-(3-(4-((2-((3-cyano-4-(3-morph...)
Show SMILES COc1c(NC(=O)Nc2ccc(Oc3ccnc(Nc4ccc(OCCCN5CCOCC5)c(c4)C#N)c3)c3ccccc23)cc(cc1NS(C)(=O)=O)C(C)(C)C
Show InChI InChI=1S/C42H47N7O7S/c1-42(2,3)29-24-35(40(53-4)36(25-29)48-57(5,51)52)47-41(50)46-34-12-14-38(33-10-7-6-9-32(33)34)56-31-15-16-44-39(26-31)45-30-11-13-37(28(23-30)27-43)55-20-8-17-49-18-21-54-22-19-49/h6-7,9-16,23-26,48H,8,17-22H2,1-5H3,(H,44,45)(H2,46,47,50)
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Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298419
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCCCN1CCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-44(2,3)29-25-36(41(57-5)37(26-29)50-60(6,54)55)49-43(53)48-35-15-16-38(33-12-8-7-11-32(33)35)59-31-17-19-45-40(28-31)47-30-13-14-34(39(27-30)56-4)42(52)46-18-9-10-20-51-21-23-58-24-22-51/h7-8,11-17,19,25-28,50H,9-10,18,20-24H2,1-6H3,(H,45,47)(H,46,52)(H2,48,49,53)
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US Patent
n/an/a 5.58E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298399
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC(=O)N1CCOCC1
Show InChI InChI=1S/C42H47N7O9S/c1-42(2,3)26-21-33(39(56-5)34(22-26)48-59(6,53)54)47-41(52)46-32-13-14-35(30-10-8-7-9-29(30)32)58-28-15-16-43-37(24-28)45-27-11-12-31(36(23-27)55-4)40(51)44-25-38(50)49-17-19-57-20-18-49/h7-16,21-24,48H,17-20,25H2,1-6H3,(H,43,45)(H,44,51)(H2,46,47,52)
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n/an/a 7.42E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM411488
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)N(C)CCCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C44H53N7O9S2/c1-44(2,3)29-25-36(41(59-6)37(26-29)49-61(7,54)55)48-43(53)47-35-15-16-38(33-12-9-8-11-32(33)35)60-31-17-18-45-40(28-31)46-30-13-14-34(39(27-30)58-5)42(52)50(4)19-10-20-51-21-23-62(56,57)24-22-51/h8-9,11-18,25-28,49H,10,19-24H2,1-7H3,(H,45,46)(H2,47,48,53)
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n/an/a 9.19E+3n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298432
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCC(F)(F)CC1
Show InChI InChI=1S/C43H49F2N7O7S/c1-42(2,3)27-23-34(39(58-5)35(24-27)51-60(6,55)56)50-41(54)49-33-13-14-36(31-10-8-7-9-30(31)33)59-29-15-18-46-38(26-29)48-28-11-12-32(37(25-28)57-4)40(53)47-19-22-52-20-16-43(44,45)17-21-52/h7-15,18,23-26,51H,16-17,19-22H2,1-6H3,(H,46,48)(H,47,53)(H2,49,50,54)
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n/an/a 1.18E+4n/an/an/an/an/an/a



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US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM298408
PNG
(4-[[4-[[4-[[5-tert-butyl-3-(methanesulfonamido)-2-...)
Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCC(C)(C)N1CCOCC1
Show InChI InChI=1S/C44H53N7O8S/c1-43(2,3)28-23-35(40(57-7)36(24-28)50-60(8,54)55)49-42(53)48-34-15-16-37(32-12-10-9-11-31(32)34)59-30-17-18-45-39(26-30)47-29-13-14-33(38(25-29)56-6)41(52)46-27-44(4,5)51-19-21-58-22-20-51/h9-18,23-26,50H,19-22,27H2,1-8H3,(H,45,47)(H,46,52)(H2,48,49,53)
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n/an/a>1.19E+4n/an/an/an/an/an/a



Topivert Pharma Limited

US Patent


Assay Description
GSK 3α Method 2: This method follows the same steps as Method 1, but utilises a shorter period of mixing of the test compound (105 minutes inste...


US Patent US10392346 (2019)


BindingDB Entry DOI: 10.7270/Q2N018WV
More data for this
Ligand-Target Pair
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