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SMILES: Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1

InChI Key: InChIKey=GXCOUFPTCZUTEE-UHFFFAOYSA-N

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 30 hits for monomerid = 385170   
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))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 15n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/a 3.70n/an/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))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 1.60n/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))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 449n/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))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 1.60n/an/an/an/a



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))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 15n/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
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 1.60n/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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 15n/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))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 1.60n/an/an/an/a


TBA

Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Divis...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z63
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/an/an/a 15n/an/an/an/a


TBA

Assay Description
The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Di...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RF5Z63
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q25X2DVD
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q25X2DVD
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta


(Mus musculus (mouse))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/a 1.79E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/a 90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



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


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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n/an/a 209n/an/an/an/an/an/a


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Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 4


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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Ligand-Target Pair
Proto-oncogene Wnt-1


(Homo sapiens (human))
BDBM385170
PNG
(US10287267, Compound 330 | US10508099, Compound 33...)
Show SMILES Cn1cc(cn1)-c1ccc2cnc(NC(=O)C3CCN(CC3)S(C)(=O)=O)cc2c1
Show InChI InChI=1S/C20H23N5O3S/c1-24-13-18(12-22-24)15-3-4-16-11-21-19(10-17(16)9-15)23-20(26)14-5-7-25(8-6-14)29(2,27)28/h3-4,9-14H,5-8H2,1-2H3,(H,21,23,26)
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US Patent
n/an/an/an/a 449n/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
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Ligand-Target Pair