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Patent code US10106527

Compile Data Set for Download or QSAR

Found 488 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
Glycogen synthase kinase-3 beta


(Homo sapiens (human))
BDBM293562
PNG
(US10106527, Compound 271)
Show SMILES Cn1cncc1-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCCCC3)cc2c1
Show InChI InChI=1S/C24H24N6O/c1-29-16-25-15-21(29)17-5-6-19-14-27-22(12-20(19)11-17)28-24(31)18-7-8-26-23(13-18)30-9-3-2-4-10-30/h5-8,11-16H,2-4,9-10H2,1H3,(H,27,28,31)
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US Patent
n/an/an/an/a 4.55E+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))
BDBM293570
PNG
(US10106527, Compound 289)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)c4ccnc(c4)N4CCOCC4)cc3c2)n1C
Show InChI InChI=1S/C24H24N6O2/c1-16-26-15-21(29(16)2)17-3-4-19-14-27-22(12-20(19)11-17)28-24(31)18-5-6-25-23(13-18)30-7-9-32-10-8-30/h3-6,11-15H,7-10H2,1-2H3,(H,27,28,31)
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n/an/an/an/a 6.00E+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))
BDBM293587
PNG
(US10106527, Compound 328)
Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(C)o1
Show InChI InChI=1S/C24H24N6O2/c1-16-26-15-21(32-16)17-3-4-19-14-27-22(12-20(19)11-17)28-24(31)18-5-6-25-23(13-18)30-9-7-29(2)8-10-30/h3-6,11-15H,7-10H2,1-2H3,(H,27,28,31)
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n/an/an/an/a 1.41E+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))
BDBM293589
PNG
(US10106527, Compound 330)
Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1ncc(Cl)s1
Show InChI InChI=1S/C23H21ClN6OS/c1-29-6-8-30(9-7-29)21-12-15(4-5-25-21)22(31)28-20-11-18-10-16(2-3-17(18)13-26-20)23-27-14-19(24)32-23/h2-5,10-14H,6-9H2,1H3,(H,26,28,31)
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n/an/an/an/a>1.00E+4n/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))
BDBM293602
PNG
(US10106527, Compound 374)
Show SMILES CNc1ncc(s1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC(C3)N(C)C)cc2c1
Show InChI InChI=1S/C24H25N7OS/c1-25-24-28-12-20(33-24)15-4-5-17-11-27-21(9-18(17)8-15)29-23(32)16-6-7-26-22(10-16)31-13-19(14-31)30(2)3/h4-12,19H,13-14H2,1-3H3,(H,25,28)(H,27,29,32)
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n/an/an/an/a 5.46E+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))
BDBM293603
PNG
(US10106527, Compound 375)
Show SMILES CN(C)C1CN(C1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(s1)N(C)C
Show InChI InChI=1S/C25H27N7OS/c1-30(2)20-14-32(15-20)23-11-17(7-8-26-23)24(33)29-22-10-19-9-16(5-6-18(19)12-27-22)21-13-28-25(34-21)31(3)4/h5-13,20H,14-15H2,1-4H3,(H,27,29,33)
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n/an/an/an/a>1.00E+4n/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))
BDBM293613
PNG
(US10106527, Compound 385)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncs1
Show InChI InChI=1S/C24H23N5O2S/c1-29-10-8-21(9-11-29)31-20-6-4-16(5-7-20)23(30)27-22-13-19-12-17(24-28-26-15-32-24)2-3-18(19)14-25-22/h2-7,12-15,21H,8-11H2,1H3,(H,25,27,30)
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n/an/an/an/a 256n/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))
BDBM293620
PNG
(US10106527, Compound 392)
Show SMILES CC(C)N1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncs1
Show InChI InChI=1S/C24H25N7OS/c1-16(2)30-7-9-31(10-8-30)22-13-17(5-6-25-22)23(32)28-21-12-20-11-18(24-29-27-15-33-24)3-4-19(20)14-26-21/h3-6,11-16H,7-10H2,1-2H3,(H,26,28,32)
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n/an/an/an/a 1.96E+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))
BDBM293625
PNG
(US10106527, Compound 419)
Show SMILES CN(C1CCN(C)CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nnc(C)s1
Show InChI InChI=1S/C25H27N7OS/c1-16-29-30-25(34-16)18-4-5-19-15-27-22(13-20(19)12-18)28-24(33)17-6-9-26-23(14-17)32(3)21-7-10-31(2)11-8-21/h4-6,9,12-15,21H,7-8,10-11H2,1-3H3,(H,27,28,33)
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n/an/an/an/a 1.16E+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))
BDBM293633
PNG
(US10106527, Compound 431)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCNCC3)cc2c1
Show InChI InChI=1S/C22H22N8O/c1-29-14-19(27-28-29)15-2-3-17-13-25-20(11-18(17)10-15)26-22(31)16-4-5-24-21(12-16)30-8-6-23-7-9-30/h2-5,10-14,23H,6-9H2,1H3,(H,25,26,31)
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n/an/an/an/a 563n/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))
BDBM293649
PNG
(US10106527, Compound 455)
Show SMILES CN1CCN(Cc2cc(ccn2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C25H27N7O/c1-30-7-9-32(10-8-30)17-23-12-19(5-6-26-23)25(33)29-24-13-21-11-18(3-4-20(21)14-27-24)22-15-28-31(2)16-22/h3-6,11-16H,7-10,17H2,1-2H3,(H,27,29,33)
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n/an/an/an/a 2.89E+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))
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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM293416
PNG
(US10106527, Compound 2)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cccc(c3)N3CCNCC3)cc2c1
Show InChI InChI=1S/C24H24N6O/c1-29-16-21(15-27-29)17-5-6-19-14-26-23(13-20(19)11-17)28-24(31)18-3-2-4-22(12-18)30-9-7-25-8-10-30/h2-6,11-16,25H,7-10H2,1H3,(H,26,28,31)
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n/an/an/an/a 1.30n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293418
PNG
(US10106527, Compound 4)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cccc(CN4CCCC4)c3)cc2c1
Show InChI InChI=1S/C25H25N5O/c1-29-17-23(15-27-29)19-7-8-21-14-26-24(13-22(21)12-19)28-25(31)20-6-4-5-18(11-20)16-30-9-2-3-10-30/h4-8,11-15,17H,2-3,9-10,16H2,1H3,(H,26,28,31)
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n/an/an/an/a 2.5n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293420
PNG
(US10106527, Compound 6)
Show SMILES CN1CCC(CC1)Oc1cccc(c1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H27N5O2/c1-30-10-8-23(9-11-30)33-24-5-3-4-19(13-24)26(32)29-25-14-21-12-18(6-7-20(21)15-27-25)22-16-28-31(2)17-22/h3-7,12-17,23H,8-11H2,1-2H3,(H,27,29,32)
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n/an/an/an/a 1.10n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293425
PNG
(US10106527, Compound 11)
Show SMILES CC(C)N1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H29N7O/c1-18(2)32-8-10-33(11-9-32)25-14-20(6-7-27-25)26(34)30-24-13-22-12-19(4-5-21(22)15-28-24)23-16-29-31(3)17-23/h4-7,12-18H,8-11H2,1-3H3,(H,28,30,34)
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n/an/an/an/a 1.30n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293427
PNG
(US10106527, Compound 13)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCN(CCF)CC3)cc2c1
Show InChI InChI=1S/C25H26FN7O/c1-31-17-22(16-29-31)18-2-3-20-15-28-23(13-21(20)12-18)30-25(34)19-4-6-27-24(14-19)33-10-8-32(7-5-26)9-11-33/h2-4,6,12-17H,5,7-11H2,1H3,(H,28,30,34)
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n/an/an/an/a 2n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293429
PNG
(US10106527, Compound 15)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cncc(OC4CCNCC4)c3)cc2c1
Show InChI InChI=1S/C24H24N6O2/c1-30-15-20(13-28-30)16-2-3-17-12-27-23(10-18(17)8-16)29-24(31)19-9-22(14-26-11-19)32-21-4-6-25-7-5-21/h2-3,8-15,21,25H,4-7H2,1H3,(H,27,29,31)
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n/an/an/an/a 312n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293447
PNG
(US10106527, Compound 47)
Show SMILES Cc1ncc(-c2ccc3cnc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3c2)n1C
Show InChI InChI=1S/C28H24N4O2/c1-19-29-17-26(32(19)2)22-8-9-23-16-30-27(15-24(23)14-22)31-28(33)21-10-12-25(13-11-21)34-18-20-6-4-3-5-7-20/h3-17H,18H2,1-2H3,(H,30,31,33)
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n/an/an/an/a 39.7n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293454
PNG
(US10106527, Compound 57)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CC(N)C3)cc2c1
Show InChI InChI=1S/C22H21N7O/c1-28-11-18(10-26-28)14-2-3-16-9-25-20(7-17(16)6-14)27-22(30)15-4-5-24-21(8-15)29-12-19(23)13-29/h2-11,19H,12-13,23H2,1H3,(H,25,27,30)
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n/an/an/an/a 2.60n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293456
PNG
(US10106527, Compound 60)
Show SMILES Cn1cc(nn1)-c1ccc2cnc(NC(=O)c3ccccc3F)cc2c1
Show InChI InChI=1S/C19H14FN5O/c1-25-11-17(23-24-25)12-6-7-13-10-21-18(9-14(13)8-12)22-19(26)15-4-2-3-5-16(15)20/h2-11H,1H3,(H,21,22,26)
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n/an/an/an/a 3.70n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293466
PNG
(US10106527, Compound 74)
Show SMILES CN1CCN(Cc2cccc(c2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnn(C)c2)CC1
Show InChI InChI=1S/C26H28N6O/c1-30-8-10-32(11-9-30)17-19-4-3-5-21(12-19)26(33)29-25-14-23-13-20(6-7-22(23)15-27-25)24-16-28-31(2)18-24/h3-7,12-16,18H,8-11,17H2,1-2H3,(H,27,29,33)
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n/an/an/an/a 7n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293468
PNG
(US10106527, Compound 78)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(O)c3)cc2c1
Show InChI InChI=1S/C19H15N5O2/c1-24-11-16(10-22-24)12-2-3-14-9-21-17(7-15(14)6-12)23-19(26)13-4-5-20-18(25)8-13/h2-11H,1H3,(H,20,25)(H,21,23,26)
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n/an/an/an/a 2.10n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293469
PNG
(US10106527, Compound 80)
Show SMILES CC(C)Oc1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C22H21N5O2/c1-14(2)29-21-10-16(6-7-23-21)22(28)26-20-9-18-8-15(4-5-17(18)11-24-20)19-12-25-27(3)13-19/h4-14H,1-3H3,(H,24,26,28)
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n/an/an/an/a 13.6n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293483
PNG
(US10106527, Compound 99)
Show SMILES CN1CCC(CC1)Sc1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N6OS/c1-30-9-6-22(7-10-30)33-24-13-18(5-8-26-24)25(32)29-23-12-20-11-17(3-4-19(20)14-27-23)21-15-28-31(2)16-21/h3-5,8,11-16,22H,6-7,9-10H2,1-2H3,(H,27,29,32)
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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 μ...


US Patent US10106527 (2018)

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


(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 43.5n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293495
PNG
(US10106527, Compound 111)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccc4CCNCc4c3)cc2c1
Show InChI InChI=1S/C23H21N5O/c1-28-14-21(13-26-28)16-3-5-18-12-25-22(10-19(18)8-16)27-23(29)17-4-2-15-6-7-24-11-20(15)9-17/h2-5,8-10,12-14,24H,6-7,11H2,1H3,(H,25,27,29)
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n/an/an/an/a 1.70n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293497
PNG
(US10106527, Compound 113)
Show SMILES CN1CCc2cc(ccc2C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23N5O/c1-28-8-7-17-9-18(4-6-20(17)14-28)24(30)27-23-11-21-10-16(3-5-19(21)12-25-23)22-13-26-29(2)15-22/h3-6,9-13,15H,7-8,14H2,1-2H3,(H,25,27,30)
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n/an/an/an/a 1.90n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293500
PNG
(US10106527, Compound 117)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccc4occc4c3)cc2c1
Show InChI InChI=1S/C22H16N4O2/c1-26-13-19(12-24-26)14-2-3-17-11-23-21(10-18(17)8-14)25-22(27)16-4-5-20-15(9-16)6-7-28-20/h2-13H,1H3,(H,23,25,27)
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n/an/an/an/a 5.60n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293502
PNG
(US10106527, Compound 119)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccc4sccc4c3)cc2c1
Show InChI InChI=1S/C22H16N4OS/c1-26-13-19(12-24-26)14-2-3-17-11-23-21(10-18(17)8-14)25-22(27)16-4-5-20-15(9-16)6-7-28-20/h2-13H,1H3,(H,23,25,27)
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n/an/an/an/a 10.3n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293508
PNG
(US10106527, Compound 130)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3cnc4ccccc4c3)cc2c1
Show InChI InChI=1S/C23H17N5O/c1-28-14-20(13-26-28)15-6-7-17-11-25-22(10-18(17)8-15)27-23(29)19-9-16-4-2-3-5-21(16)24-12-19/h2-14H,1H3,(H,25,27,29)
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n/an/an/an/a 3.20n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293516
PNG
(US10106527, Compound 138)
Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2c(N)n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H26N8O/c1-30-7-9-32(10-8-30)22-13-17(5-6-26-22)24(33)29-21-12-18-11-16(19-14-27-31(2)15-19)3-4-20(18)23(25)28-21/h3-6,11-15H,7-10H2,1-2H3,(H3,25,28,29,33)
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n/an/an/an/a 55.3n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293538
PNG
(US10106527, Compound 220)
Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn2CCN(CCF)Cc12
Show InChI InChI=1S/C29H32FN7O/c1-34-9-12-36(13-10-34)25-4-2-3-22(16-25)29(38)33-28-17-24-15-21(5-6-23(24)18-31-28)26-19-32-37-14-11-35(8-7-30)20-27(26)37/h2-6,15-19H,7-14,20H2,1H3,(H,31,33,38)
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n/an/an/an/a 6.30n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(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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n/an/an/an/a 1.5n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293556
PNG
(US10106527, Compound 257)
Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(-c3cn(C)nn3)c(F)cc2cn1
Show InChI InChI=1S/C23H23FN8O/c1-30-5-7-32(8-6-30)22-12-15(3-4-25-22)23(33)27-21-11-16-9-18(20-14-31(2)29-28-20)19(24)10-17(16)13-26-21/h3-4,9-14H,5-8H2,1-2H3,(H,26,27,33)
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n/an/an/an/a 18.4n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293557
PNG
(US10106527, Compound 258)
Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-n1cncn1
Show InChI InChI=1S/C22H22N8O/c1-28-6-8-29(9-7-28)21-12-16(4-5-24-21)22(31)27-20-11-18-10-19(30-15-23-14-26-30)3-2-17(18)13-25-20/h2-5,10-15H,6-9H2,1H3,(H,25,27,31)
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n/an/an/an/a 18.9n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293558
PNG
(US10106527, Compound 261)
Show SMILES Cn1cncc1-c1ccc2cnc(NC(=O)c3cccc(CN4CCCC4)c3)cc2c1
Show InChI InChI=1S/C25H25N5O/c1-29-17-26-15-23(29)19-7-8-21-14-27-24(13-22(21)12-19)28-25(31)20-6-4-5-18(11-20)16-30-9-2-3-10-30/h4-8,11-15,17H,2-3,9-10,16H2,1H3,(H,27,28,31)
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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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293569
PNG
(US10106527, Compound 286)
Show SMILES CN1Cc2ccc(cc2C1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncn1C
Show InChI InChI=1S/C23H21N5O/c1-27-12-18-6-4-16(8-20(18)13-27)23(29)26-22-9-19-7-15(3-5-17(19)10-25-22)21-11-24-14-28(21)2/h3-11,14H,12-13H2,1-2H3,(H,25,26,29)
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n/an/an/an/a 0.800n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293575
PNG
(US10106527, Compound 294)
Show SMILES CC(C)N1CCC(CC1)Oc1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc2CNCCn12
Show InChI InChI=1S/C29H33N7O2/c1-19(2)35-10-6-24(7-11-35)38-28-15-21(5-8-31-28)29(37)34-26-14-23-13-20(3-4-22(23)16-32-26)25-17-33-27-18-30-9-12-36(25)27/h3-5,8,13-17,19,24,30H,6-7,9-12,18H2,1-2H3,(H,32,34,37)
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n/an/an/an/a 10.5n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293595
PNG
(US10106527, Compound 336)
Show SMILES CN(C)C1CN(C1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cncs1
Show InChI InChI=1S/C23H22N6OS/c1-28(2)19-12-29(13-19)22-9-16(5-6-25-22)23(30)27-21-8-18-7-15(20-11-24-14-31-20)3-4-17(18)10-26-21/h3-11,14,19H,12-13H2,1-2H3,(H,26,27,30)
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n/an/an/an/a 1.10n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293599
PNG
(US10106527, Compound 340)
Show SMILES O=C(Nc1cc2cc(ccc2cn1)-c1cncs1)c1ccc2CCNCc2c1
Show InChI InChI=1S/C22H18N4OS/c27-22(16-3-1-14-5-6-23-10-19(14)8-16)26-21-9-18-7-15(20-12-24-13-28-20)2-4-17(18)11-25-21/h1-4,7-9,11-13,23H,5-6,10H2,(H,25,26,27)
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UniChem
US Patent
n/an/an/an/a 1.20n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293600
PNG
(US10106527, Compound 359)
Show SMILES CN1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnc(N)s1
Show InChI InChI=1S/C23H23N7OS/c1-29-6-8-30(9-7-29)21-12-16(4-5-25-21)22(31)28-20-11-18-10-15(2-3-17(18)13-26-20)19-14-27-23(24)32-19/h2-5,10-14H,6-9H2,1H3,(H2,24,27)(H,26,28,31)
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US Patent
n/an/an/an/a 3.70n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(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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UniChem
US Patent
n/an/an/an/a 0.800n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293618
PNG
(US10106527, Compound 390)
Show SMILES CN(C)C1CN(C1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1nncs1
Show InChI InChI=1S/C22H21N7OS/c1-28(2)18-11-29(12-18)20-9-14(5-6-23-20)21(30)26-19-8-17-7-15(22-27-25-13-31-22)3-4-16(17)10-24-19/h3-10,13,18H,11-12H2,1-2H3,(H,24,26,30)
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US Patent
n/an/an/an/a 1.40n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293626
PNG
(US10106527, Compound 420)
Show SMILES Cc1nnc(s1)-c1ccc2cnc(NC(=O)c3ccnc(OC4CNC4)c3)cc2c1
Show InChI InChI=1S/C21H18N6O2S/c1-12-26-27-21(30-12)14-2-3-15-9-24-18(7-16(15)6-14)25-20(28)13-4-5-23-19(8-13)29-17-10-22-11-17/h2-9,17,22H,10-11H2,1H3,(H,24,25,28)
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US Patent
n/an/an/an/a 7.10n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293643
PNG
(US10106527, Compound 441)
Show SMILES Cn1cncc1-c1ccc2cnc(NC(=O)c3ccnc(c3)N3CCC(F)(F)CC3)cc2c1
Show InChI InChI=1S/C24H22F2N6O/c1-31-15-27-14-20(31)16-2-3-18-13-29-21(11-19(18)10-16)30-23(33)17-4-7-28-22(12-17)32-8-5-24(25,26)6-9-32/h2-4,7,10-15H,5-6,8-9H2,1H3,(H,29,30,33)
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US Patent
n/an/an/an/a 1.10n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293650
PNG
(US10106527, Compound 456)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccnc(CN4CCOCC4)c3)cc2c1
Show InChI InChI=1S/C24H24N6O2/c1-29-15-21(14-27-29)17-2-3-19-13-26-23(12-20(19)10-17)28-24(31)18-4-5-25-22(11-18)16-30-6-8-32-9-7-30/h2-5,10-15H,6-9,16H2,1H3,(H,26,28,31)
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US Patent
n/an/an/an/a 3n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293656
PNG
(US10106527, Compound 463)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)c3ccc4n(C)cnc4c3)cc2c1
Show InChI InChI=1S/C22H18N6O/c1-27-13-24-19-8-15(5-6-20(19)27)22(29)26-21-9-17-7-14(3-4-16(17)10-23-21)18-11-25-28(2)12-18/h3-13H,1-2H3,(H,23,26,29)
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US Patent
n/an/an/an/a 1.40n/an/an/a25



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 μ...


US Patent US10106527 (2018)

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


(Homo sapiens (human))
BDBM293425
PNG
(US10106527, Compound 11)
Show SMILES CC(C)N1CCN(CC1)c1cc(ccn1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1
Show InChI InChI=1S/C26H29N7O/c1-18(2)32-8-10-33(11-9-32)25-14-20(6-7-27-25)26(34)30-24-13-22-12-19(4-5-21(22)15-28-24)23-16-29-31(3)17-23/h4-7,12-18H,8-11H2,1-3H3,(H,28,30,34)
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US Patent
n/an/an/an/a 3.90E+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
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* indicates data uncertainty>20%