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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 8644   
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
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410174
PNG
(US10370375, Example 22)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)|
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n/an/a 10n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410170
PNG
(US10370375, Example 18)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 21n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410178
PNG
(US10370375, Example 26)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
PDB

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US Patent
n/an/a 34n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410177
PNG
(US10370375, Example 25)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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US Patent
n/an/a 71n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410174
PNG
(US10370375, Example 22)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)|
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US Patent
n/an/a 130n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410174
PNG
(US10370375, Example 22)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)|
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PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410170
PNG
(US10370375, Example 18)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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US Patent
n/an/a 390n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410180
PNG
(US10370375, Example 28)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)10-12-5-7-13(8-6-12)19(2)15-14-4-3-9-20(14)18-11-17-15/h3-4,9,11-13,16H,5-8,10H2,1-2H3/t12-,13?
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n/an/a 550n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410154
PNG
(US10370375, Example 2)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]cnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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US Patent
n/an/a 582n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410153
PNG
(US10370375, Example 1)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;.42,-.05,;-1.04,-.52,)|
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n/an/a 838n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410178
PNG
(US10370375, Example 26)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
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n/an/a 840n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410176
PNG
(US10370375, Example 24)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,)|
Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)12-13-5-7-15(8-6-13)21(2)17-14(10-18)11-20-22-9-3-4-16(17)22/h3-4,9,11,13,15,19H,5-8,12H2,1-2H3/t13-,15?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410177
PNG
(US10370375, Example 25)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410170
PNG
(US10370375, Example 18)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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n/an/a 1.20E+3n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410179
PNG
(US10370375, Example 27)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
Show InChI InChI=1S/C16H21N5O2S/c1-18-24(22,23)11-12-4-6-14(7-5-12)20-16-13(9-17)10-19-21-8-2-3-15(16)21/h2-3,8,10,12,14,18,20H,4-7,11H2,1H3/t12-,14?
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n/an/a 1.80E+3n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410154
PNG
(US10370375, Example 2)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]cnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410165
PNG
(US10370375, Example 13)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C12H20BrN5O2S/c1-15-21(19,20)7-8-2-4-9(5-3-8)17-11-10(13)6-16-12(14)18-11/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t8-,9?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410178
PNG
(US10370375, Example 26)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410180
PNG
(US10370375, Example 28)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)10-12-5-7-13(8-6-12)19(2)15-14-4-3-9-20(14)18-11-17-15/h3-4,9,11-13,16H,5-8,10H2,1-2H3/t12-,13?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410177
PNG
(US10370375, Example 25)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410154
PNG
(US10370375, Example 2)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]cnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410153
PNG
(US10370375, Example 1)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410165
PNG
(US10370375, Example 13)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C12H20BrN5O2S/c1-15-21(19,20)7-8-2-4-9(5-3-8)17-11-10(13)6-16-12(14)18-11/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t8-,9?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410179
PNG
(US10370375, Example 27)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
Show InChI InChI=1S/C16H21N5O2S/c1-18-24(22,23)11-12-4-6-14(7-5-12)20-16-13(9-17)10-19-21-8-2-3-15(16)21/h2-3,8,10,12,14,18,20H,4-7,11H2,1H3/t12-,14?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410153
PNG
(US10370375, Example 1)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410176
PNG
(US10370375, Example 24)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,)|
Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)12-13-5-7-15(8-6-13)21(2)17-14(10-18)11-20-22-9-3-4-16(17)22/h3-4,9,11,13,15,19H,5-8,12H2,1-2H3/t13-,15?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410155
PNG
(US10370375, Example 3)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]nnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410180
PNG
(US10370375, Example 28)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)10-12-5-7-13(8-6-12)19(2)15-14-4-3-9-20(14)18-11-17-15/h3-4,9,11-13,16H,5-8,10H2,1-2H3/t12-,13?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410155
PNG
(US10370375, Example 3)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]nnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410156
PNG
(US10370375, Example 4)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(nc12)-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;2.87,-1.29,;3.64,-2.63,;5.18,-2.63,;5.95,-1.29,;5.18,.04,;3.64,.04,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410156
PNG
(US10370375, Example 4)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(nc12)-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;2.87,-1.29,;3.64,-2.63,;5.18,-2.63,;5.95,-1.29,;5.18,.04,;3.64,.04,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410156
PNG
(US10370375, Example 4)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(nc12)-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;2.87,-1.29,;3.64,-2.63,;5.18,-2.63,;5.95,-1.29,;5.18,.04,;3.64,.04,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410157
PNG
(US10370375, Example 5)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(Cc3ccccc3)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;3.64,-2.63,;2.87,-3.96,;3.64,-5.29,;5.18,-5.29,;5.95,-3.96,;5.18,-2.63,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410157
PNG
(US10370375, Example 5)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(Cc3ccccc3)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;3.64,-2.63,;2.87,-3.96,;3.64,-5.29,;5.18,-5.29,;5.95,-3.96,;5.18,-2.63,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410157
PNG
(US10370375, Example 5)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(Cc3ccccc3)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;3.64,-2.63,;2.87,-3.96,;3.64,-5.29,;5.18,-5.29,;5.95,-3.96,;5.18,-2.63,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410158
PNG
(US10370375, Example 6)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O3S/c1-15-22(19,20)9-11-4-6-12(7-5-11)21-14-13-3-2-8-18(13)17-10-16-14/h2-3,8,10-12,15H,4-7,9H2,1H3/t11-,12?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410158
PNG
(US10370375, Example 6)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O3S/c1-15-22(19,20)9-11-4-6-12(7-5-11)21-14-13-3-2-8-18(13)17-10-16-14/h2-3,8,10-12,15H,4-7,9H2,1H3/t11-,12?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410158
PNG
(US10370375, Example 6)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O3S/c1-15-22(19,20)9-11-4-6-12(7-5-11)21-14-13-3-2-8-18(13)17-10-16-14/h2-3,8,10-12,15H,4-7,9H2,1H3/t11-,12?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410159
PNG
(US10370375, Example 7)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C13H22BrN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-11(14)7-17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410159
PNG
(US10370375, Example 7)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C13H22BrN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-11(14)7-17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410159
PNG
(US10370375, Example 7)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C13H22BrN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-11(14)7-17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410160
PNG
(US10370375, Example 8)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O2S2/c1-15-22(19,20)8-10-2-4-11(5-3-10)18-13-12-6-7-21-14(12)17-9-16-13/h6-7,9-11,15H,2-5,8H2,1H3,(H,16,17,18)/t10-,11?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410160
PNG
(US10370375, Example 8)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O2S2/c1-15-22(19,20)8-10-2-4-11(5-3-10)18-13-12-6-7-21-14(12)17-9-16-13/h6-7,9-11,15H,2-5,8H2,1H3,(H,16,17,18)/t10-,11?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410160
PNG
(US10370375, Example 8)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O2S2/c1-15-22(19,20)8-10-2-4-11(5-3-10)18-13-12-6-7-21-14(12)17-9-16-13/h6-7,9-11,15H,2-5,8H2,1H3,(H,16,17,18)/t10-,11?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410161
PNG
(US10370375, Example 9)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H22N4O2S2/c1-16-23(20,21)9-11-3-5-12(6-4-11)19(2)14-13-7-8-22-15(13)18-10-17-14/h7-8,10-12,16H,3-6,9H2,1-2H3/t11-,12?
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410161
PNG
(US10370375, Example 9)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H22N4O2S2/c1-16-23(20,21)9-11-3-5-12(6-4-11)19(2)14-13-7-8-22-15(13)18-10-17-14/h7-8,10-12,16H,3-6,9H2,1-2H3/t11-,12?
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410161
PNG
(US10370375, Example 9)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H22N4O2S2/c1-16-23(20,21)9-11-3-5-12(6-4-11)19(2)14-13-7-8-22-15(13)18-10-17-14/h7-8,10-12,16H,3-6,9H2,1-2H3/t11-,12?
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1 [866-1154]


(Homo sapiens (Human))
BDBM410162
PNG
(US10370375, Example 10)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1cc(Cl)nc(N)n1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-5.04,-2.83,;-2.38,-2.83,;-1.04,-2.06,;.29,-2.83,;-1.04,-.52,)|
Show InChI InChI=1S/C13H22ClN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-7-11(14)17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
PDB

UniProtKB/SwissProt

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n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124]


(Homo sapiens (Human))
BDBM410162
PNG
(US10370375, Example 10)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1cc(Cl)nc(N)n1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-5.04,-2.83,;-2.38,-2.83,;-1.04,-2.06,;.29,-2.83,;-1.04,-.52,)|
Show InChI InChI=1S/C13H22ClN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-7-11(14)17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))
BDBM410162
PNG
(US10370375, Example 10)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1cc(Cl)nc(N)n1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-5.04,-2.83,;-2.38,-2.83,;-1.04,-2.06,;.29,-2.83,;-1.04,-.52,)|
Show InChI InChI=1S/C13H22ClN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-7-11(14)17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...


US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
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