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Patent code US10934297

Compile Data Set for Download or QSAR

Found 286 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
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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n/an/an/an/a 26n/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))		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))		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))		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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n/an/an/an/a 26n/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))		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))		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))		BDBM484662
PNG
(US10934297, Compound 55 | US11713320, Compound 55)
Show SMILES FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)cc1
Show InChI InChI=1S/C23H22F2N6O2/c24-23(25)33-18-4-2-16(3-5-18)28-22(32)21-19-11-14(1-6-20(19)29-30-21)15-12-27-31(13-15)17-7-9-26-10-8-17/h1-6,11-13,17,23,26H,7-10H2,(H,28,32)(H,29,30)
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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))		BDBM484664
PNG
(US10934297, Compound 57 | US11713320, Compound 57)
Show SMILES FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2F)cc1
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n/an/an/an/a 1.05E+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))		BDBM484672
PNG
(US10934297, Compound 65 | US11713320, Compound 65)
Show SMILES CN1CCC(CC1)c1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C24H25FN6O/c1-30-9-7-16(8-10-30)15-3-5-18(6-4-15)27-24(32)23-20-11-19(17-13-26-31(2)14-17)21(25)12-22(20)28-29-23/h3-6,11-14,16H,7-10H2,1-2H3,(H,27,32)(H,28,29)
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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))		BDBM484676
PNG
(US10934297, Compound 69 | US11713320, Compound 69)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C23H23FN6O/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-6-4-15(5-7-17)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(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))		BDBM484677
PNG
(US10934297, Compound 70 | US11713320, Compound 70)
Show SMILES CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1
Show InChI InChI=1S/C24H26N6O/c1-2-30-16-19(14-25-30)18-7-10-22-21(13-18)23(28-27-22)24(31)26-20-8-5-17(6-9-20)15-29-11-3-4-12-29/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,26,31)(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))		BDBM484692
PNG
(US10934297, Compound 85 | US11713320, Compound 85)
Show SMILES CN1Cc2ccc(NC(=O)c3n[nH]c4cc(F)c(cc34)-c3cnn(C)c3)cc2C1
Show InChI InChI=1S/C21H19FN6O/c1-27-9-12-3-4-15(5-13(12)10-27)24-21(29)20-17-6-16(14-8-23-28(2)11-14)18(22)7-19(17)25-26-20/h3-8,11H,9-10H2,1-2H3,(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))		BDBM484694
PNG
(US10934297, Compound 87 | US11713320, Compound 87)
Show SMILES FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCNCC2)cn1
Show InChI InChI=1S/C22H21F2N7O2/c23-22(24)33-19-4-2-15(11-26-19)28-21(32)20-17-9-13(1-3-18(17)29-30-20)14-10-27-31(12-14)16-5-7-25-8-6-16/h1-4,9-12,16,22,25H,5-8H2,(H,28,32)(H,29,30)
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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))		BDBM484724
PNG
(US10934297, Compound 137 | US11713320, Compound 13...)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:23:22:25:19.18.17,23:18:25:22.24.21,THB:24:22:19:25.16.17,24:16:19:22.23.21|
Show InChI InChI=1S/C22H25N5O/c1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26)
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n/an/an/an/a 8.29E+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))		BDBM484732
PNG
(US10934297, Compound 145 | US11713320, Compound 14...)
Show SMILES CC(C)CN1CC[C@H](NC(=O)c2n[nH]c3ccc(cc23)-c2cn[nH]c2)[C@@H](F)C1 |r|
Show InChI InChI=1S/C20H23FN6O/c1-12(2)10-27-6-5-18(16(21)11-27)24-20(28)19-15-7-13(14-8-22-23-9-14)3-4-17(15)25-26-19/h3-4,7-9,12,16,18H,5-6,10-11H2,1-2H3,(H,24,28)/t16-,18-/m0/s1
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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))		BDBM484750
PNG
(US10934297, Compound 163 | US11713320, Compound 16...)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnc(C)s2)cc1
Show InChI InChI=1S/C24H24FN5O2S/c1-14-26-13-22(33-14)18-11-19-21(12-20(18)25)28-29-23(19)24(31)27-15-3-5-16(6-4-15)32-17-7-9-30(2)10-8-17/h3-6,11-13,17H,7-10H2,1-2H3,(H,27,31)(H,28,29)
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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
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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n/an/an/an/a 22n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(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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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484660
PNG
(US10934297, Compound 53 | US11713320, Compound 53)
Show SMILES Fc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2nnc3CNCCn23)cc1
Show InChI InChI=1S/C19H16FN7O/c20-12-2-4-13(5-3-12)22-19(28)17-14-9-11(1-6-15(14)23-25-17)18-26-24-16-10-21-7-8-27(16)18/h1-6,9,21H,7-8,10H2,(H,22,28)(H,23,25)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484663
PNG
(US10934297, Compound 56 | US11713320, Compound 56)
Show SMILES FC(F)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(c2)C2CCNCC2)cc1
Show InChI InChI=1S/C23H21F3N6O2/c24-19-10-20-18(9-17(19)13-11-28-32(12-13)15-5-7-27-8-6-15)21(31-30-20)22(33)29-14-1-3-16(4-2-14)34-23(25)26/h1-4,9-12,15,23,27H,5-8H2,(H,29,33)(H,30,31)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484674
PNG
(US10934297, Compound 67 | US11713320, Compound 67)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CC(F)C2)cc1
Show InChI InChI=1S/C22H20F2N6O/c1-29-10-14(8-25-29)17-6-18-20(7-19(17)24)27-28-21(18)22(31)26-16-4-2-13(3-5-16)9-30-11-15(23)12-30/h2-8,10,15H,9,11-12H2,1H3,(H,26,31)(H,27,28)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484676
PNG
(US10934297, Compound 69 | US11713320, Compound 69)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cc1F)C(=O)Nc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C23H23FN6O/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-6-4-15(5-7-17)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(H,27,28)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484677
PNG
(US10934297, Compound 70 | US11713320, Compound 70)
Show SMILES CCn1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ccc(CN4CCCC4)cc3)c2c1
Show InChI InChI=1S/C24H26N6O/c1-2-30-16-19(14-25-30)18-7-10-22-21(13-18)23(28-27-22)24(31)26-20-8-5-17(6-9-20)15-29-11-3-4-12-29/h5-10,13-14,16H,2-4,11-12,15H2,1H3,(H,26,31)(H,27,28)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484685
PNG
(US10934297, Compound 78 | US11713320, Compound 78)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4cc(F)c(cc34)-c3cnn(C)c3)cc2)CC1
Show InChI InChI=1S/C24H26FN7O/c1-30-7-9-32(10-8-30)14-16-3-5-18(6-4-16)27-24(33)23-20-11-19(17-13-26-31(2)15-17)21(25)12-22(20)28-29-23/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,27,33)(H,28,29)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484686
PNG
(US10934297, Compound 79 | US11713320, Compound 79)
Show SMILES CN1CCC(CC1)Oc1ccc(NC(=O)c2n[nH]c3cc(F)c(cc23)-c2cnn(C)c2)cc1
Show InChI InChI=1S/C24H25FN6O2/c1-30-9-7-18(8-10-30)33-17-5-3-16(4-6-17)27-24(32)23-20-11-19(15-13-26-31(2)14-15)21(25)12-22(20)28-29-23/h3-6,11-14,18H,7-10H2,1-2H3,(H,27,32)(H,28,29)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484693
PNG
(US10934297, Compound 86 | US11713320, Compound 86)
Show SMILES FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CNC2)cn1
Show InChI InChI=1S/C20H17F2N7O2/c21-20(22)31-17-4-2-13(7-24-17)26-19(30)18-15-5-11(1-3-16(15)27-28-18)12-6-25-29(10-12)14-8-23-9-14/h1-7,10,14,20,23H,8-9H2,(H,26,30)(H,27,28)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484697
PNG
(US10934297, Compound 90 | US11713320, Compound 90)
Show SMILES FC(F)Oc1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(CCN3CCOCC3)c2)cn1
Show InChI InChI=1S/C23H23F2N7O3/c24-23(25)35-20-4-2-17(13-26-20)28-22(33)21-18-11-15(1-3-19(18)29-30-21)16-12-27-32(14-16)6-5-31-7-9-34-10-8-31/h1-4,11-14,23H,5-10H2,(H,28,33)(H,29,30)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484701
PNG
(US10934297, Compound 94 | US11713320, Compound 94)
Show SMILES Fc1cc2[nH]nc(C(=O)Nc3ccc(nc3)N3CCCC3)c2cc1-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C25H27FN8O/c26-21-12-22-20(11-19(21)16-13-29-34(15-16)18-5-7-27-8-6-18)24(32-31-22)25(35)30-17-3-4-23(28-14-17)33-9-1-2-10-33/h3-4,11-15,18,27H,1-2,5-10H2,(H,30,35)(H,31,32)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484709
PNG
(US10934297, Compound 106 | US11713320, Compound 10...)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(C(=O)NCC(F)(F)CN3CCCC3)c2c1
Show InChI InChI=1S/C19H22F2N6O/c1-26-10-14(9-23-26)13-4-5-16-15(8-13)17(25-24-16)18(28)22-11-19(20,21)12-27-6-2-3-7-27/h4-5,8-10H,2-3,6-7,11-12H2,1H3,(H,22,28)(H,24,25)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484717
PNG
(US10934297, Compound 128 | US11713320, Compound 12...)
Show SMILES CNC(=O)c1ccc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(c2)C2CCN(C)CC2)cn1
Show InChI InChI=1S/C24H26N8O2/c1-25-23(33)21-6-4-17(13-26-21)28-24(34)22-19-11-15(3-5-20(19)29-30-22)16-12-27-32(14-16)18-7-9-31(2)10-8-18/h3-6,11-14,18H,7-10H2,1-2H3,(H,25,33)(H,28,34)(H,29,30)
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n/an/an/an/a 633n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484728
PNG
(US10934297, Compound 141 | US11713320, Compound 14...)
Show SMILES CN1CCC(CC1)n1cc(NC(=O)c2n[nH]c3ccc(cc23)-c2cnn(C)c2)cn1
Show InChI InChI=1S/C21H24N8O/c1-27-7-5-17(6-8-27)29-13-16(11-23-29)24-21(30)20-18-9-14(3-4-19(18)25-26-20)15-10-22-28(2)12-15/h3-4,9-13,17H,5-8H2,1-2H3,(H,24,30)(H,25,26)
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Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

US Patent US10934297 (2021)


BindingDB Entry DOI: 10.7270/Q23N26GM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))		BDBM484731
PNG
(US10934297, Compound 144 | US11713320, Compound 14...)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1ccc2[nH]nc(C(=O)Nc3ncc(C)s3)c2c1
Show InChI InChI=1S/C21H23N7OS/c1-13-10-22-21(30-13)24-20(29)19-17-9-14(3-4-18(17)25-26-19)15-11-23-28(12-15)16-5-7-27(2)8-6-16/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26)(H,22,24,29)
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n/an/an/an/a 6.44E+3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3β: Each compound is dissolved in DMSO as a 10 mM stock and used to prepare compound source plates. Serial dilution (1:3, 11-point dose-respo...

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))		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))		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))		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))		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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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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* indicates data uncertainty>20%