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Compile Data Set for Download or QSAR

Found 286 hits Enz. Inhib. hit(s) with all data for entry = 9734   
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484607
PNG
(US10934297, Compound 1 | US11713320, Compound 1)
Show SMILES CC(C)CNC(=O)c1n[nH]c2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C15H17N5O/c1-9(2)6-16-15(21)14-12-5-10(11-7-17-18-8-11)3-4-13(12)19-20-14/h3-5,7-9H,6H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
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n/an/an/an/a 30n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484608
PNG
(US10934297, Compound 2 | US11713320, Compound 2)
Show SMILES CC(C)CNC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C16H19N5O/c1-10(2)7-17-16(22)15-13-6-11(4-5-14(13)19-20-15)12-8-18-21(3)9-12/h4-6,8-10H,7H2,1-3H3,(H,17,22)(H,19,20)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484609
PNG
(US10934297, Compound 3 | US11713320, Compound 3)
Show SMILES C[C@@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1)C(F)(F)F |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484610
PNG
(US10934297, Compound 4 | US11713320, Compound 4)
Show SMILES C[C@H](NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1)C(F)(F)F |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484611
PNG
(US10934297, Compound 5 | US11713320, Compound 5)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCCC(F)(F)F)c2c1
Show InChI InChI=1S/C15H14F3N5O/c1-23-8-10(7-20-23)9-2-3-12-11(6-9)13(22-21-12)14(24)19-5-4-15(16,17)18/h2-3,6-8H,4-5H2,1H3,(H,19,24)(H,21,22)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484612
PNG
(US10934297, Compound 6 | US11713320, Compound 6)
Show SMILES Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)NCCC(F)(F)F)c2c1
Show InChI InChI=1S/C15H13F4N5O/c1-24-7-9(6-21-24)8-4-10-12(11(16)5-8)22-23-13(10)14(25)20-3-2-15(17,18)19/h4-7H,2-3H2,1H3,(H,20,25)(H,22,23)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484613
PNG
(US10934297, Compound 7 | US11713320, Compound 7)
Show SMILES CC(C)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C19H24N6O/c1-12(2)22-19(26)18-16-9-13(3-4-17(16)23-24-18)14-10-21-25(11-14)15-5-7-20-8-6-15/h3-4,9-12,15,20H,5-8H2,1-2H3,(H,22,26)(H,23,24)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484614
PNG
(US10934297, Compound 8 | US11713320, Compound 8)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C19H21F2N5O/c1-26-11-14(10-23-26)13-2-3-16-15(8-13)17(25-24-16)18(27)22-9-12-4-6-19(20,21)7-5-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,22,27)(H,24,25)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484615
PNG
(US10934297, Compound 9 | US11713320, Compound 9)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@@H]3CCCC[C@H]3F)c2c1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484616
PNG
(US10934297, Compound 10 | US11713320, Compound 10)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)N[C@@H]1CCCC[C@H]1F |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484617
PNG
(US10934297, Compound 11 | US11713320, Compound 11)
Show SMILES Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)N[C@@H]3CCCC[C@H]3F)c2c1 |r|
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n/an/an/an/a 198n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484618
PNG
(US10934297, Compound 12 | US11713320, Compound 12)
Show SMILES F[C@@H]1CCCC[C@H]1NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484619
PNG
(US10934297, Compound 13 | US11713320, Compound 13)
Show SMILES Cc1ncc(-c2ccc3[nH]nc(C(=O)N[C@@H]4CCCC[C@H]4F)c3c2)n1C |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484620
PNG
(US10934297, Compound 14 | US11713320, Compound 14)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C18H19F2N5O/c1-25-10-12(9-21-25)11-2-3-15-14(8-11)16(24-23-15)17(26)22-13-4-6-18(19,20)7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,22,26)(H,23,24)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484621
PNG
(US10934297, Compound 15 | US11713320, Compound 15)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)NC1CCC(F)(F)CC1
Show InChI InChI=1S/C18H18F3N5O/c1-26-9-10(8-22-26)12-6-13-15(7-14(12)19)24-25-16(13)17(27)23-11-2-4-18(20,21)5-3-11/h6-9,11H,2-5H2,1H3,(H,23,27)(H,24,25)
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n/an/an/an/a 36n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484622
PNG
(US10934297, Compound 16 | US11713320, Compound 16)
Show SMILES Cn1cc(cn1)-c1cc(F)c2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C18H18F3N5O/c1-26-9-11(8-22-26)10-6-13-15(14(19)7-10)24-25-16(13)17(27)23-12-2-4-18(20,21)5-3-12/h6-9,12H,2-5H2,1H3,(H,23,27)(H,24,25)
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n/an/an/an/a 378n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484623
PNG
(US10934297, Compound 17 | US11713320, Compound 17)
Show SMILES Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C18H18ClF2N5O/c1-26-9-11(8-22-26)10-6-13-15(14(19)7-10)24-25-16(13)17(27)23-12-2-4-18(20,21)5-3-12/h6-9,12H,2-5H2,1H3,(H,23,27)(H,24,25)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484624
PNG
(US10934297, Compound 18 | US11713320, Compound 18)
Show SMILES CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C19H21F2N5O/c1-2-26-11-13(10-22-26)12-3-4-16-15(9-12)17(25-24-16)18(27)23-14-5-7-19(20,21)8-6-14/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,27)(H,24,25)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484625
PNG
(US10934297, Compound 19 | US11713320, Compound 19)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C20H21F2N5O/c21-20(22)7-5-14(6-8-20)24-19(28)18-16-9-12(1-4-17(16)25-26-18)13-10-23-27(11-13)15-2-3-15/h1,4,9-11,14-15H,2-3,5-8H2,(H,24,28)(H,25,26)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484626
PNG
(US10934297, Compound 20 | US11713320, Compound 20)
Show SMILES Cc1c(cnn1C)-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C19H21F2N5O/c1-11-15(10-22-26(11)2)12-3-4-16-14(9-12)17(25-24-16)18(27)23-13-5-7-19(20,21)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,23,27)(H,24,25)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484627
PNG
(US10934297, Compound 21 | US11713320, Compound 21)
Show SMILES Cc1nn(C)cc1-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
Show InChI InChI=1S/C19H21F2N5O/c1-11-15(10-26(2)25-11)12-3-4-16-14(9-12)17(24-23-16)18(27)22-13-5-7-19(20,21)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,27)(H,23,24)
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n/an/an/an/a 1.82E+3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484628
PNG
(US10934297, Compound 22 | US11713320, Compound 22)
Show SMILES Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)n1C
Show InChI InChI=1S/C19H21F2N5O/c1-11-22-10-16(26(11)2)12-3-4-15-14(9-12)17(25-24-15)18(27)23-13-5-7-19(20,21)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,23,27)(H,24,25)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484629
PNG
(US10934297, Compound 23 | US11713320, Compound 23)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CC(F)C4)CC3)c2c1 |r,wU:19.20,wD:16.16,(-7.69,.41,;-7.29,-1.08,;-5.83,-1.56,;-5.83,-3.1,;-7.29,-3.57,;-8.2,-2.33,;-4.49,-3.87,;-4.49,-5.41,;-3.16,-6.18,;-1.83,-5.41,;-.36,-5.88,;.54,-4.64,;-.36,-3.39,;.04,-1.9,;-1.05,-.81,;1.52,-1.51,;1.92,-.02,;3.41,.38,;3.81,1.87,;2.72,2.96,;3.12,4.44,;4.61,4.84,;5.94,4.07,;6.71,5.41,;8.2,5.81,;5.38,6.18,;1.23,2.56,;.83,1.07,;-1.83,-3.87,;-3.16,-3.1,)|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484630
PNG
(US10934297, Compound 24 | US11713320, Compound 24)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)N[C@H]1CC[C@H](CN2CC(F)C2)CC1 |r,wU:22.25,wD:19.21,(-7.69,.41,;-7.29,-1.08,;-5.83,-1.56,;-5.83,-3.1,;-7.29,-3.57,;-8.2,-2.33,;-4.49,-3.87,;-3.16,-3.1,;-1.83,-3.87,;-.36,-3.39,;.54,-4.64,;-.36,-5.88,;-1.83,-5.41,;-3.16,-6.18,;-4.49,-5.41,;-5.83,-6.18,;.04,-1.9,;-1.05,-.81,;1.52,-1.51,;1.92,-.02,;3.41,.38,;3.81,1.87,;2.72,2.96,;3.12,4.44,;4.61,4.84,;5.94,4.07,;6.71,5.41,;8.2,5.81,;5.38,6.18,;1.23,2.56,;.83,1.07,)|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484631
PNG
(US10934297, Compound 25 | US11713320, Compound 25)
Show SMILES CC(C)(C)n1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CC(F)C4)CC3)c2c1 |r,wU:22.23,wD:19.19,(-6.11,1.5,;-7.2,.41,;-8.69,.8,;-7.6,1.89,;-6.8,-1.08,;-5.34,-1.56,;-5.34,-3.1,;-6.8,-3.57,;-7.71,-2.33,;-4,-3.87,;-4,-5.41,;-2.67,-6.18,;-1.34,-5.41,;.13,-5.88,;1.03,-4.64,;.13,-3.39,;.53,-1.9,;-.56,-.81,;2.01,-1.51,;2.41,-.02,;3.9,.38,;4.3,1.87,;3.21,2.96,;3.61,4.44,;5.1,4.84,;6.43,4.07,;7.2,5.41,;8.69,5.81,;5.87,6.18,;1.72,2.56,;1.32,1.07,;-1.34,-3.87,;-2.67,-3.1,)|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484632
PNG
(US10934297, Compound 26 | US11713320, Compound 26)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CC2)C1 |r,wU:5.4,wD:8.11,(8.49,5.81,;7,5.41,;6.23,4.07,;4.9,4.84,;3.41,4.44,;3.01,2.96,;4.1,1.87,;3.7,.38,;2.21,-.02,;1.13,1.07,;1.52,2.56,;1.82,-1.51,;.33,-1.9,;-.76,-.81,;-.07,-3.39,;.83,-4.64,;-.07,-5.88,;-1.54,-5.41,;-2.87,-6.18,;-4.2,-5.41,;-4.2,-3.87,;-2.87,-3.1,;-1.54,-3.87,;-5.54,-3.1,;-7,-3.57,;-7.91,-2.33,;-7,-1.08,;-5.54,-1.56,;-7.4,.41,;-7,1.89,;-8.49,1.5,;5.67,6.18,)|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484633
PNG
(US10934297, Compound 27 | US11713320, Compound 27)
Show SMILES FC1CN(C[C@H]2CC[C@@H](CC2)NC(=O)c2n[nH]c3ccc(cc23)-c2cnn3CCCCc23)C1 |r,wU:5.4,wD:8.11,(8.2,5.81,;6.71,5.41,;5.94,4.07,;4.61,4.84,;3.12,4.44,;2.72,2.96,;3.81,1.87,;3.41,.38,;1.92,-.02,;.83,1.07,;1.23,2.56,;1.52,-1.51,;.04,-1.9,;-1.05,-.81,;-.36,-3.39,;.54,-4.64,;-.36,-5.88,;-1.83,-5.41,;-3.16,-6.18,;-4.49,-5.41,;-4.49,-3.87,;-3.16,-3.1,;-1.83,-3.87,;-5.83,-3.1,;-7.29,-3.57,;-8.2,-2.33,;-7.29,-1.08,;-7.61,.43,;-6.47,1.46,;-5,.98,;-4.68,-.53,;-5.83,-1.56,;5.38,6.18,)|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484634
PNG
(US10934297, Compound 28 | US11713320, Compound 28)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)N[C@H]3CC[C@H](CN4CCCC4)CC3)c2c1 |r,wU:19.20,wD:16.16,(-7.12,.34,;-6.74,-1.15,;-5.28,-1.62,;-5.28,-3.16,;-6.74,-3.64,;-7.65,-2.39,;-3.94,-3.93,;-3.94,-5.47,;-2.61,-6.24,;-1.28,-5.47,;.19,-5.95,;1.09,-4.7,;.19,-3.46,;.59,-1.97,;-.5,-.88,;2.07,-1.57,;2.47,-.08,;3.96,.32,;4.36,1.8,;3.27,2.89,;3.67,4.38,;5.16,4.78,;5.63,6.24,;7.17,6.24,;7.65,4.78,;6.4,3.87,;1.78,2.49,;1.38,1.01,;-1.28,-3.93,;-2.61,-3.16,)|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484635
PNG
(US10934297, Compound 29 | US11713320, Compound 29)
Show SMILES CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cc(nn1C)C(F)(F)F
Show InChI InChI=1S/C19H21F3N6O/c1-27-7-5-12(6-8-27)23-18(29)17-13-9-11(3-4-14(13)24-25-17)15-10-16(19(20,21)22)26-28(15)2/h3-4,9-10,12H,5-8H2,1-2H3,(H,23,29)(H,24,25)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484636
PNG
(US10934297, Compound 30 | US11713320, Compound 30)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@H](F)C1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484637
PNG
(US10934297, Compound 31 | US11713320, Compound 31)
Show SMILES CC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484638
PNG
(US10934297, Compound 32 | US11713320, Compound 32)
Show SMILES CC(C)CN1CC[C@@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@H](F)C1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484639
PNG
(US10934297, Compound 33 | US11713320, Compound 33)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484640
PNG
(US10934297, Compound 34 | US11713320, Compound 34)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484641
PNG
(US10934297, Compound 35 | US11713320, Compound 35)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3c(F)cc(cc23)-c2cnn(C)c2)[C@@H](F)C1 |r|
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484642
PNG
(US10934297, Compound 36 | US11713320, Compound 36)
Show SMILES CC(C)(F)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C20H25FN6O/c1-20(2,21)12-27-7-5-15(6-8-27)24-19(28)18-16-9-13(14-10-22-23-11-14)3-4-17(16)25-26-18/h3-4,9-11,15H,5-8,12H2,1-2H3,(H,22,23)(H,24,28)(H,25,26)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484643
PNG
(US10934297, Compound 37 | US11713320, Compound 37)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
Show InChI InChI=1S/C21H27FN6O/c1-21(2,22)13-28-8-6-16(7-9-28)24-20(29)19-17-10-14(4-5-18(17)25-26-19)15-11-23-27(3)12-15/h4-5,10-12,16H,6-9,13H2,1-3H3,(H,24,29)(H,25,26)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484644
PNG
(US10934297, Compound 38 | US11713320, Compound 38)
Show SMILES Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
Show InChI InChI=1S/C21H26ClFN6O/c1-21(2,23)12-29-6-4-15(5-7-29)25-20(30)19-16-8-13(14-10-24-28(3)11-14)9-17(22)18(16)26-27-19/h8-11,15H,4-7,12H2,1-3H3,(H,25,30)(H,26,27)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484645
PNG
(US10934297, Compound 39 | US11713320, Compound 39)
Show SMILES CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
Show InChI InChI=1S/C22H29FN6O/c1-4-29-13-16(12-24-29)15-5-6-19-18(11-15)20(27-26-19)21(30)25-17-7-9-28(10-8-17)14-22(2,3)23/h5-6,11-13,17H,4,7-10,14H2,1-3H3,(H,25,30)(H,26,27)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484646
PNG
(US10934297, Compound 40 | US11713320, Compound 40)
Show SMILES CC(C)(F)CN1CCC(CC1)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(c1)C1CC1
Show InChI InChI=1S/C23H29FN6O/c1-23(2,24)14-29-9-7-17(8-10-29)26-22(31)21-19-11-15(3-6-20(19)27-28-21)16-12-25-30(13-16)18-4-5-18/h3,6,11-13,17-18H,4-5,7-10,14H2,1-2H3,(H,26,31)(H,27,28)
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n/an/an/an/a 45n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484647
PNG
(US10934297, Compound 41 | US11713320, Compound 41)
Show SMILES Cn1ncc(c1C(F)F)-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
Show InChI InChI=1S/C22H27F3N6O/c1-22(2,25)12-31-8-6-14(7-9-31)27-21(32)18-15-10-13(4-5-17(15)28-29-18)16-11-26-30(3)19(16)20(23)24/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H,27,32)(H,28,29)
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n/an/an/an/a 250n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484648
PNG
(US10934297, Compound 42 | US11713320, Compound 42)
Show SMILES Cc1ncc(-c2ccc3[nH]nc(C(=O)NC4CCN(CC(C)(C)F)CC4)c3c2)n1C
Show InChI InChI=1S/C22H29FN6O/c1-14-24-12-19(28(14)4)15-5-6-18-17(11-15)20(27-26-18)21(30)25-16-7-9-29(10-8-16)13-22(2,3)23/h5-6,11-12,16H,7-10,13H2,1-4H3,(H,25,30)(H,26,27)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484649
PNG
(US10934297, Compound 43 | US11713320, Compound 43)
Show SMILES Cc1noc(C)c1-c1ccc2[nH]nc(C(=O)NC3CCN(CC(C)(C)F)CC3)c2c1
Show InChI InChI=1S/C22H28FN5O2/c1-13-19(14(2)30-27-13)15-5-6-18-17(11-15)20(26-25-18)21(29)24-16-7-9-28(10-8-16)12-22(3,4)23/h5-6,11,16H,7-10,12H2,1-4H3,(H,24,29)(H,25,26)
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n/an/an/an/a 67n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484650
PNG
(Preparation of N-((2S,4R)-1-(2-fluoro-2-methylprop...)
Show SMILES C[C@H]1CC(CCN1CC(C)(C)F)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1 |r|
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n/an/an/an/a 7n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484652
PNG
(US10934297, Compound 45 | US11713320, Compound 45)
Show SMILES CN1CC2(C1)CCC(CC2)NC(=O)c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C21H26N6O/c1-26-12-21(13-26)7-5-16(6-8-21)23-20(28)19-17-9-14(3-4-18(17)24-25-19)15-10-22-27(2)11-15/h3-4,9-11,16H,5-8,12-13H2,1-2H3,(H,23,28)(H,24,25)
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n/an/an/an/a 6n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484653
PNG
(US10934297, Compound 46 | US11713320, Compound 46)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CC2)cc1
Show InChI InChI=1S/C20H16FN5O/c21-14-2-4-15(5-3-14)23-20(27)19-17-9-12(1-8-18(17)24-25-19)13-10-22-26(11-13)16-6-7-16/h1-5,8-11,16H,6-7H2,(H,23,27)(H,24,25)
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n/an/an/an/a 4.45E+3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484654
PNG
(US10934297, Compound 47 | US11713320, Compound 47)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CNC2)cc1
Show InChI InChI=1S/C20H17FN6O/c21-14-2-4-15(5-3-14)24-20(28)19-17-7-12(1-6-18(17)25-26-19)13-8-23-27(11-13)16-9-22-10-16/h1-8,11,16,22H,9-10H2,(H,24,28)(H,25,26)
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n/an/an/an/a 190n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484655
PNG
(US10934297, Compound 48 | US11713320, Compound 48)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)cc1
Show InChI InChI=1S/C22H21FN6O/c23-16-2-4-17(5-3-16)26-22(30)21-19-11-14(1-6-20(19)27-28-21)15-12-25-29(13-15)18-7-9-24-10-8-18/h1-6,11-13,18,24H,7-10H2,(H,26,30)(H,27,28)
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Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484656
PNG
(US10934297, Compound 49 | US11713320, Compound 49)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(c2)C2CCNCC2)cc1
Show InChI InChI=1S/C22H20F2N6O/c23-14-1-3-15(4-2-14)27-22(31)21-18-9-17(19(24)10-20(18)28-29-21)13-11-26-30(12-13)16-5-7-25-8-6-16/h1-4,9-12,16,25H,5-8H2,(H,27,31)(H,28,29)
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n/an/an/an/a 15n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM484657
PNG
(US10934297, Compound 50 | US11713320, Compound 50)
Show SMILES Fc1cc2[nH]nc(C(=O)Nc3ccc(Cl)cc3)c2cc1-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C22H20ClFN6O/c23-14-1-3-15(4-2-14)27-22(31)21-18-9-17(19(24)10-20(18)28-29-21)13-11-26-30(12-13)16-5-7-25-8-6-16/h1-4,9-12,16,25H,5-8H2,(H,27,31)(H,28,29)
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n/an/an/an/a 34n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
DYRK1A: Each compound was dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-response...


US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
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