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Patent code US10604514

Compile Data Set for Download or QSAR

Found 334 hits of Enzyme Inhibition Constant Data   
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
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439226
PNG
(US10604514, Compound 103)
Show SMILES Cn1cc(cn1)-c1cc(F)c2cnc(NC(=O)C3CC[C@@H](CC3)NCC(F)F)cc2c1
Show InChI InChI=1S/C22H24F3N5O/c1-30-12-16(9-28-30)14-6-15-8-21(27-10-18(15)19(23)7-14)29-22(31)13-2-4-17(5-3-13)26-11-20(24)25/h6-10,12-13,17,20,26H,2-5,11H2,1H3,(H,27,29,31)/t13?,17-
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n/an/an/an/a 30n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439230
PNG
(US10604514, Compound 108)
Show SMILES CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C20H22N6OS/c1-12-23-24-19(28-12)13-3-4-14-9-21-18(8-15(14)7-13)22-20(27)26-16-5-6-17(26)11-25(2)10-16/h3-4,7-9,16-17H,5-6,10-11H2,1-2H3,(H,21,22,27)
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n/an/an/an/a 671n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439236
PNG
(US10604514, Compound 126)
Show SMILES Cc1ncc(o1)-c1ccc2cnc(NC(=O)N3CCn4ccnc4C3)cc2c1
Show InChI InChI=1S/C20H18N6O2/c1-13-22-11-17(28-13)14-2-3-15-10-23-18(9-16(15)8-14)24-20(27)26-7-6-25-5-4-21-19(25)12-26/h2-5,8-11H,6-7,12H2,1H3,(H,23,24,27)
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n/an/an/an/a 24n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439244
PNG
(US10604514, Compound 137)
Show SMILES Cc1nnc(o1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1
Show InChI InChI=1S/C18H19N5O3/c1-12-21-22-18(26-12)13-2-3-14-10-19-16(9-15(14)8-13)20-17(24)11-23-4-6-25-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,19,20,24)
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n/an/an/an/a 68n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439254
PNG
(US10604514, Compound 149)
Show SMILES Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CC[C@H](N)CC3)cc2c1
Show InChI InChI=1S/C20H22N4O2/c1-12-22-11-18(26-12)14-2-3-15-10-23-19(9-16(15)8-14)24-20(25)13-4-6-17(21)7-5-13/h2-3,8-11,13,17H,4-7,21H2,1H3,(H,23,24,25)/t13?,17-
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n/an/an/an/a 128n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439265
PNG
(US10604514, Compound 161 | US10604514, Compound 16...)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)c4ccc(C)cc4)cc3c2)n1C
Show InChI InChI=1S/C22H20N4O/c1-14-4-6-16(7-5-14)22(27)25-21-11-19-10-17(8-9-18(19)12-24-21)20-13-23-15(2)26(20)3/h4-13H,1-3H3,(H,24,25,27)
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n/an/an/an/a 4.27E+3n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439280
PNG
(US10604514, Compound 194)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C24H30N6OS/c1-16-27-28-24(32-16)18-3-4-19-15-25-22(14-20(19)13-18)26-23(31)17-5-7-21(8-6-17)30-11-9-29(2)10-12-30/h3-4,13-15,17,21H,5-12H2,1-2H3,(H,25,26,31)/t17-,21-
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n/an/an/an/a 12n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439286
PNG
(US10604514, Compound 224 | US10604514, Compound 22...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC[N](C)(O)CC3)cc2c1
Show InChI InChI=1S/C23H25N8O2/c1-29-15-20(27-28-29)16-3-4-18-14-25-21(12-19(18)11-16)26-23(32)17-5-6-24-22(13-17)30-7-9-31(2,33)10-8-30/h3-6,11-15,33H,7-10H2,1-2H3,(H,25,26,32)
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n/an/an/an/a 703n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439291
PNG
(US10604514, Compound 229)
Show SMILES CN(C1CCN(C)CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnc(C)o1
Show InChI InChI=1S/C21H24FN5O2/c1-13-23-12-19(29-13)15-8-14-10-20(24-11-17(14)18(22)9-15)25-21(28)27(3)16-4-6-26(2)7-5-16/h8-12,16H,4-7H2,1-3H3,(H,24,25,28)
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n/an/an/an/a 6.71E+3n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439137
PNG
(US10604514, Compound 13 | US10604514, Compound 143)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)N4CCOCC4)cc3c2)n1C
Show InChI InChI=1S/C19H21N5O2/c1-13-20-12-17(23(13)2)14-3-4-15-11-21-18(10-16(15)9-14)22-19(25)24-5-7-26-8-6-24/h3-4,9-12H,5-8H2,1-2H3,(H,21,22,25)
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n/an/an/an/a 13n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439140
PNG
(US10604514, Compound 16)
Show SMILES CN[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1
Show InChI InChI=1S/C21H24N4O2/c1-13-23-12-19(27-13)15-3-4-16-11-24-20(10-17(16)9-15)25-21(26)14-5-7-18(22-2)8-6-14/h3-4,9-12,14,18,22H,5-8H2,1-2H3,(H,24,25,26)/t14-,18-
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n/an/an/an/a 5n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439143
PNG
(US10604514, Compound 19)
Show SMILES Cc1ncc(o1)-c1cc(F)c2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1
Show InChI InChI=1S/C24H27FN4O3/c1-15-26-14-22(32-15)18-10-17-12-23(27-13-20(17)21(25)11-18)28-24(30)16-2-4-19(5-3-16)29-6-8-31-9-7-29/h10-14,16,19H,2-9H2,1H3,(H,27,28,30)/t16-,19-
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n/an/an/an/a 110n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439156
PNG
(US10604514, Compound 32)
Show SMILES CN(CC(F)F)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C21H24F2N6OS/c1-13-26-27-20(31-13)14-3-4-15-11-24-19(10-16(15)9-14)25-21(30)29-7-5-17(6-8-29)28(2)12-18(22)23/h3-4,9-11,17-18H,5-8,12H2,1-2H3,(H,24,25,30)
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n/an/an/an/a 17n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439157
PNG
(US10604514, Compound 33)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CC[C@H](N)[C@@H](F)C3)cc2c1
Show InChI InChI=1S/C18H19FN6OS/c1-10-23-24-17(27-10)11-2-3-12-8-21-16(7-13(12)6-11)22-18(26)25-5-4-15(20)14(19)9-25/h2-3,6-8,14-15H,4-5,9,20H2,1H3,(H,21,22,26)/t14-,15-/m0/s1
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n/an/an/an/a 9n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439159
PNG
(US10604514, Compound 139 | US10604514, Compound 35)
Show SMILES CC(C)N[C@H]1CCN(C[C@@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C21H25FN6OS/c1-12(2)24-18-6-7-28(11-17(18)22)21(29)25-19-9-16-8-14(4-5-15(16)10-23-19)20-27-26-13(3)30-20/h4-5,8-10,12,17-18,24H,6-7,11H2,1-3H3,(H,23,25,29)/t17-,18-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439178
PNG
(US10604514, Compound 54)
Show SMILES COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2cn(C)nn2)CC1
Show InChI InChI=1S/C20H24N6O2/c1-25-12-18(23-24-25)14-3-4-15-11-21-19(10-16(15)9-14)22-20(27)13-26-7-5-17(28-2)6-8-26/h3-4,9-12,17H,5-8,13H2,1-2H3,(H,21,22,27)
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n/an/an/an/a 7n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439182
PNG
(US10604514, Compound 58)
Show SMILES Cc1cn2CCN(Cc2n1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C20H19N7OS/c1-12-10-26-5-6-27(11-18(26)22-12)20(28)23-17-8-16-7-14(3-4-15(16)9-21-17)19-25-24-13(2)29-19/h3-4,7-10H,5-6,11H2,1-2H3,(H,21,23,28)
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n/an/an/an/a 6n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439194
PNG
(US10604514, Compound 70)
Show SMILES CN1CCN(C[C@H]2CC[C@@H](CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnc(C)o2)CC1
Show InChI InChI=1S/C26H33N5O2/c1-18-27-16-24(33-18)21-7-8-22-15-28-25(14-23(22)13-21)29-26(32)20-5-3-19(4-6-20)17-31-11-9-30(2)10-12-31/h7-8,13-16,19-20H,3-6,9-12,17H2,1-2H3,(H,28,29,32)/t19-,20-
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n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM293657
PNG
(US10106527, Compound 464 | US10544128, Compound 46...)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(c4)N4CCCC4)cc3c2)n1C
Show InChI InChI=1S/C24H24N6O/c1-16-26-15-21(29(16)2)17-5-6-19-14-27-22(12-20(19)11-17)28-24(31)18-7-8-25-23(13-18)30-9-3-4-10-30/h5-8,11-15H,3-4,9-10H2,1-2H3,(H,27,28,31)
PDB
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PC cid
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n/an/an/an/a 6n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM293561
PNG
(US10106527, Compound 268 | US10544128, Compound 26...)
Show SMILES Cn1cncc1-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCCC3)cc2c1
Show InChI InChI=1S/C23H22N6O/c1-28-15-24-14-20(28)16-4-5-18-13-26-21(11-19(18)10-16)27-23(30)17-6-7-25-22(12-17)29-8-2-3-9-29/h4-7,10-15H,2-3,8-9H2,1H3,(H,26,27,30)
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n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439230
PNG
(US10604514, Compound 108)
Show SMILES CN1CC2CCC(C1)N2C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C20H22N6OS/c1-12-23-24-19(28-12)13-3-4-14-9-21-18(8-15(14)7-13)22-20(27)26-16-5-6-17(26)11-25(2)10-16/h3-4,7-9,16-17H,5-6,10-11H2,1-2H3,(H,21,22,27)
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n/an/an/an/a 10n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM385372
PNG
(US10287267, Compound 1082 | US10508099, Compound 1...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1
Show InChI InChI=1S/C22H26N4O2/c1-14-23-13-20(28-14)16-4-5-17-12-24-21(11-18(17)10-16)25-22(27)15-6-8-19(9-7-15)26(2)3/h4-5,10-13,15,19H,6-9H2,1-3H3,(H,24,25,27)/t15?,19-
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n/an/an/an/a 20n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439252
PNG
(US10604514, Compound 147)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCCC(F)(F)F)cc2c1
Show InChI InChI=1S/C21H23F3N6OS/c1-13-28-29-19(32-13)14-2-3-15-12-26-18(11-16(15)10-14)27-20(31)30-8-4-17(5-9-30)25-7-6-21(22,23)24/h2-3,10-12,17,25H,4-9H2,1H3,(H,26,27,31)
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n/an/an/an/a 18n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439126
PNG
(US10604514, Compound 2)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(-c3cnn(C)c3)c(F)cc2cn1
Show InChI InChI=1S/C22H26FN5O/c1-27(2)18-6-4-14(5-7-18)22(29)26-21-10-15-8-19(17-12-25-28(3)13-17)20(23)9-16(15)11-24-21/h8-14,18H,4-7H2,1-3H3,(H,24,26,29)/t14-,18-
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n/an/an/an/a 246n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM293463
PNG
(US10106527, Compound 67 | US10544128, Compound 67 ...)
Show SMILES CCN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C25H27N7O/c1-3-31-8-10-32(11-9-31)24-14-19(6-7-26-24)25(33)29-23-13-21-12-18(4-5-20(21)15-27-23)22-16-28-30(2)17-22/h4-7,12-17H,3,8-11H2,1-2H3,(H,27,29,33)
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n/an/an/an/a 6.58E+3n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439135
PNG
(US10604514, Compound 11)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1
Show InChI InChI=1S/C18H20N6O2/c1-23-11-16(21-22-23)13-2-3-14-10-19-17(9-15(14)8-13)20-18(25)12-24-4-6-26-7-5-24/h2-3,8-11H,4-7,12H2,1H3,(H,19,20,25)
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n/an/an/an/a 10n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439136
PNG
(US10604514, Compound 12)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1coc(C)n1
Show InChI InChI=1S/C25H31N5O2/c1-17-27-23(16-32-17)19-3-4-20-15-26-24(14-21(20)13-19)28-25(31)18-5-7-22(8-6-18)30-11-9-29(2)10-12-30/h3-4,13-16,18,22H,5-12H2,1-2H3,(H,26,28,31)/t18-,22-
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n/an/an/an/a 189n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439144
PNG
(US10604514, Compound 20)
Show SMILES Cc1ncc(o1)-c1ccc2cnc(NC(=O)C3CCN(CC(C)(F)F)CC3)cc2c1
Show InChI InChI=1S/C22H24F2N4O2/c1-14-25-12-19(30-14)16-3-4-17-11-26-20(10-18(17)9-16)27-21(29)15-5-7-28(8-6-15)13-22(2,23)24/h3-4,9-12,15H,5-8,13H2,1-2H3,(H,26,27,29)
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n/an/an/an/a 41n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439158
PNG
(US10604514, Compound 34)
Show SMILES CN(C)[C@H]1CCN(C[C@@H]1F)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C20H23FN6OS/c1-12-24-25-19(29-12)13-4-5-14-10-22-18(9-15(14)8-13)23-20(28)27-7-6-17(26(2)3)16(21)11-27/h4-5,8-10,16-17H,6-7,11H2,1-3H3,(H,22,23,28)/t16-,17-/m0/s1
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n/an/an/an/a 46n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385177
PNG
(US10287267, Compound 338 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1
Show InChI InChI=1S/C19H21N5O2/c1-23-12-17(11-21-23)14-2-3-15-10-20-18(9-16(15)8-14)22-19(25)13-24-4-6-26-7-5-24/h2-3,8-12H,4-7,13H2,1H3,(H,20,22,25)
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n/an/an/an/a 96n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439173
PNG
(US10604514, Compound 49)
Show SMILES COC1CCN(CC(=O)Nc2cc3cc(ccc3cn2)-c2nnc(C)s2)CC1
Show InChI InChI=1S/C20H23N5O2S/c1-13-23-24-20(28-13)14-3-4-15-11-21-18(10-16(15)9-14)22-19(26)12-25-7-5-17(27-2)6-8-25/h3-4,9-11,17H,5-8,12H2,1-2H3,(H,21,22,26)
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n/an/an/an/a 6n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439179
PNG
(US10604514, Compound 55)
Show SMILES Cc1ncc(o1)-c1cc2cc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)ncc2cc1F
Show InChI InChI=1S/C24H27FN4O3/c1-15-26-14-22(32-15)20-10-17-12-23(27-13-18(17)11-21(20)25)28-24(30)16-2-4-19(5-3-16)29-6-8-31-9-7-29/h10-14,16,19H,2-9H2,1H3,(H,27,28,30)/t16-,19-
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n/an/an/an/a 88n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439183
PNG
(US10604514, Compound 59)
Show SMILES Cc1cn2CCN(Cc2n1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1
Show InChI InChI=1S/C21H20N6O2/c1-13-11-26-5-6-27(12-20(26)24-13)21(28)25-19-8-17-7-15(3-4-16(17)9-23-19)18-10-22-14(2)29-18/h3-4,7-11H,5-6,12H2,1-2H3,(H,23,25,28)
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n/an/an/an/a 15n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385177
PNG
(US10287267, Compound 338 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)CN3CCOCC3)cc2c1
Show InChI InChI=1S/C19H21N5O2/c1-23-12-17(11-21-23)14-2-3-15-10-20-18(9-16(15)8-14)22-19(25)13-24-4-6-26-7-5-24/h2-3,8-12H,4-7,13H2,1H3,(H,20,22,25)
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n/an/an/an/a 66n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439208
PNG
(US10604514, Compound 84 | US10604514, Compound 85 ...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C
Show InChI InChI=1S/C21H18N4O/c1-14-3-5-15(6-4-14)21(26)24-20-10-18-9-16(7-8-17(18)11-23-20)19-12-22-13-25(19)2/h3-13H,1-2H3,(H,23,24,26)
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n/an/an/an/a 1.74E+3n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439225
PNG
(US10604514, Compound 102)
Show SMILES CN1CCN(CC1)C(=O)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(cc(F)c2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H31FN6O2/c1-31-7-9-33(10-8-31)26(35)18-5-3-17(4-6-18)25(34)30-24-13-20-11-19(21-14-29-32(2)16-21)12-23(27)22(20)15-28-24/h11-18H,3-10H2,1-2H3,(H,28,30,34)/t17?,18-
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n/an/an/an/a 434n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439238
PNG
(US10604514, Compound 129)
Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C23H29N7OS/c1-16-26-27-22(32-16)17-3-4-18-15-24-21(14-19(18)13-17)25-23(31)30-7-5-20(6-8-30)29-11-9-28(2)10-12-29/h3-4,13-15,20H,5-12H2,1-2H3,(H,24,25,31)
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n/an/an/an/a 90n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439252
PNG
(US10604514, Compound 147)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCCC(F)(F)F)cc2c1
Show InChI InChI=1S/C21H23F3N6OS/c1-13-28-29-19(32-13)14-2-3-15-12-26-18(11-16(15)10-14)27-20(31)30-8-4-17(5-9-30)25-7-6-21(22,23)24/h2-3,10-12,17,25H,4-9H2,1H3,(H,26,27,31)
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n/an/an/an/a 37n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439260
PNG
(US10604514, Compound 156)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCCF)cc2c1
Show InChI InChI=1S/C20H23FN6OS/c1-13-25-26-19(29-13)14-2-3-15-12-23-18(11-16(15)10-14)24-20(28)27-8-4-17(5-9-27)22-7-6-21/h2-3,10-12,17,22H,4-9H2,1H3,(H,23,24,28)
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n/an/an/an/a 34n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439261
PNG
(US10604514, Compound 157)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)c4ccccc4F)cc3c2)n1C
Show InChI InChI=1S/C21H17FN4O/c1-13-23-12-19(26(13)2)14-7-8-15-11-24-20(10-16(15)9-14)25-21(27)17-5-3-4-6-18(17)22/h3-12H,1-2H3,(H,24,25,27)
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n/an/an/an/a>1.00E+4n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439273
PNG
(US10604514, Compound 168)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)N3CCC(CC3)NCC(F)F)cc2c1
Show InChI InChI=1S/C20H22F2N6OS/c1-12-26-27-19(30-12)13-2-3-14-10-24-18(9-15(14)8-13)25-20(29)28-6-4-16(5-7-28)23-11-17(21)22/h2-3,8-10,16-17,23H,4-7,11H2,1H3,(H,24,25,29)
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n/an/an/an/a 20n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439275
PNG
(US10604514, Compound 170)
Show SMILES CC(C)C[N]1(CC(C)C)CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C27H38N5O/c1-19(2)17-32(18-20(3)4)10-8-21(9-11-32)27(33)30-26-13-24-12-22(6-7-23(24)14-28-26)25-15-29-31(5)16-25/h6-7,12-16,19-21H,8-11,17-18H2,1-5H3,(H,28,30,33)
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n/an/an/an/a 52n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439282
PNG
(US10604514, Compound 196)
Show SMILES COCCN[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C23H29N5O2/c1-28-15-20(14-26-28)17-3-4-18-13-25-22(12-19(18)11-17)27-23(29)16-5-7-21(8-6-16)24-9-10-30-2/h3-4,11-16,21,24H,5-10H2,1-2H3,(H,25,27,29)/t16?,21-
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n/an/an/an/a 194n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Axin-1/Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM439286
PNG
(US10604514, Compound 224 | US10604514, Compound 22...)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC[N](C)(O)CC3)cc2c1
Show InChI InChI=1S/C23H25N8O2/c1-29-15-20(27-28-29)16-3-4-18-14-25-21(12-19(18)11-16)26-23(32)17-5-6-24-22(13-17)30-7-9-31(2,33)10-8-30/h3-6,11-15,33H,7-10H2,1-2H3,(H,25,26,32)
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n/an/an/an/a 1.19E+3n/an/an/an/a



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 US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439128
PNG
(US10604514, Compound 4)
Show SMILES CC(C)CN1CCC(CC(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)C1
Show InChI InChI=1S/C23H29N5O/c1-16(2)13-28-7-6-17(14-28)8-23(29)26-22-10-20-9-18(4-5-19(20)11-24-22)21-12-25-27(3)15-21/h4-5,9-12,15-17H,6-8,13-14H2,1-3H3,(H,24,26,29)
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n/an/an/an/a 4n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM385079
PNG
(US10287267, Compound 1086 | US10287267, Compound 1...)
Show SMILES CC(C)CN1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C23H29N5O/c1-16(2)14-28-8-6-17(7-9-28)23(29)26-22-11-20-10-18(4-5-19(20)12-24-22)21-13-25-27(3)15-21/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,24,26,29)
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PC cid
PC sid
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n/an/an/an/a 3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439136
PNG
(US10604514, Compound 12)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1coc(C)n1
Show InChI InChI=1S/C25H31N5O2/c1-17-27-23(16-32-17)19-3-4-20-15-26-24(14-21(20)13-19)28-25(31)18-5-7-22(8-6-18)30-11-9-29(2)10-12-30/h3-4,13-16,18,22H,5-12H2,1-2H3,(H,26,28,31)/t18-,22-
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n/an/an/an/a 16n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439147
PNG
(US10604514, Compound 23)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)[C@H]3CC[C@@H](CC3)N3CCOCC3)cc2c1
Show InChI InChI=1S/C23H27N5O2S/c1-15-26-27-23(31-15)17-2-3-18-14-24-21(13-19(18)12-17)25-22(29)16-4-6-20(7-5-16)28-8-10-30-11-9-28/h2-3,12-14,16,20H,4-11H2,1H3,(H,24,25,29)/t16-,20-
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n/an/an/an/a 4n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM439150
PNG
(US10604514, Compound 26)
Show SMILES CN1CCC(F)(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C19H20FN5OS/c1-12-23-24-17(27-12)13-3-4-14-11-21-16(10-15(14)9-13)22-18(26)19(20)5-7-25(2)8-6-19/h3-4,9-11H,5-8H2,1-2H3,(H,21,22,26)
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n/an/an/an/a 38n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 were prepared in 1× Kinase buffer to final concentrations of 0.19 μg/mL, 30 _...


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%