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BDBM385167 US10287267, Compound 327::US10508099, Compound 1081::US10556885, Compound 1081::US10604514, Compound 145::US11174244, Compound 1081

SMILES: CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1

InChI Key: InChIKey=HZEICOMNMJRQDY-PGEAFIJBSA-N

Data: 14 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 385167   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 66n/an/an/an/a



Novartis



Assay Description
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-response curves f...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 258n/an/an/an/a



Novartis



Assay Description
The screening assay for Wnt activity is described as follows. Reporter cell lines can be generated by stably transducing cancer cell lines (e.g., col...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 1.70n/an/an/an/a



Novartis



Assay Description
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 curves ...


J Med Chem 51: 7049-52 (2008)


BindingDB Entry DOI: 10.7270/Q2MS3W3C
More data for this
Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 2.73E+3n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
SW480 colon carcinoma cells were transduced with a lentiviral vector expressing luciferase with a human Sp5 promoter consisting of a sequence of eigh...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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Samumed, LLC

US Patent


Assay Description
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 curves ...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 82n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
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-response curves f...


US Patent US10508099 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5J0C
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 82n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 80n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
Briefly, recombinant GSK3β kinase, ATP and Ser/Thr peptide 09 are prepared in 1× Kinase buffer to final concentrations of 0.04 μg/mL, 46 &...


US Patent US10604514 (2020)

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


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 1.70n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions. This is a non-radioactive...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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Samumed, LLC

US Patent


Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions. This is a non-radioactive...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 82n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
GSK3B: This is a non-radioactive assay using fluorescence resonance energy transfer (FRET) between coumarin and fluorescein to detect kinase activity...


US Patent US10556885 (2020)


BindingDB Entry DOI: 10.7270/Q2ZW1P9Z
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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n/an/an/an/a 2.20n/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM385167
PNG
(US10287267, Compound 327 | US10508099, Compound 10...)
Show SMILES CN(C)[C@H]1CCC(CC1)C(=O)Nc1cc2cc(ccc2cn1)-c1cnn(C)c1 |r,wU:3.2,(9.19,1.16,;7.85,1.93,;7.85,3.47,;6.52,1.15,;6.52,-.39,;5.19,-1.15,;3.85,-.39,;3.85,1.15,;5.19,1.92,;2.52,-1.16,;2.52,-2.7,;1.18,-.39,;-.15,-1.16,;-1.48,-.39,;-2.82,-1.16,;-4.15,-.39,;-5.48,-1.16,;-5.48,-2.7,;-4.15,-3.47,;-2.82,-2.7,;-1.48,-3.47,;-.15,-2.7,;-6.82,-.39,;-8.28,-.86,;-9.19,.38,;-8.28,1.63,;-9.05,2.96,;-6.82,1.15,)|
Show InChI InChI=1S/C22H27N5O/c1-26(2)20-8-6-15(7-9-20)22(28)25-21-11-18-10-16(4-5-17(18)12-23-21)19-13-24-27(3)14-19/h4-5,10-15,20H,6-9H2,1-3H3,(H,23,25,28)/t15?,20-
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US Patent
n/an/an/an/a 2n/an/an/an/a



Samumed, LLC

US Patent


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


US Patent US10604514 (2020)

More data for this
Ligand-Target Pair