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Compile Data Set for Download or QSAR

Found 674 hits of ph data with Target = 'Tyrosine-protein kinase JAK2'   
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 JAK2


(Homo sapiens (Human))
BDBM112571
PNG
(US8618103, I-67)
Show SMILES CC(C)(C)NS(=O)(=O)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H27N7O2S/c1-20(2,3)26-30(28,29)27-11-5-6-14(13-27)24-18-15(7-4-9-21-18)17-12-23-19-16(25-17)8-10-22-19/h4,7-10,12,14,26H,5-6,11,13H2,1-3H3,(H,21,24)(H,22,23)/t14-/m0/s1
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n/an/a 0.222n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112572
PNG
(US8618103, I-68)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H19N7O2S/c1-26(24,25)23-6-2-3-11(9-23)21-15-12(7-17-10-20-15)14-8-19-16-13(22-14)4-5-18-16/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,18,19)(H,17,20,21)/t11-/m0/s1
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n/an/a 0.181n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112573
PNG
(US8618103, I-69)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1ncncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H25N7O2S/c1-13(2)11-29(27,28)26-7-3-4-14(10-26)24-18-15(8-20-12-23-18)17-9-22-19-16(25-17)5-6-21-19/h5-6,8-9,12-14H,3-4,7,10-11H2,1-2H3,(H,21,22)(H,20,23,24)/t14-/m0/s1
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n/an/a 0.0581n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112574
PNG
(US8618103, I-70)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H26N8O2S/c1-12(2)11-30(28,29)27-7-3-4-13(10-27)24-17-14(8-23-19(20)26-17)16-9-22-18-15(25-16)5-6-21-18/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,21,22)(H3,20,23,24,26)/t13-/m0/s1
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n/an/a 0.0196n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112575
PNG
(US8618103, I-71)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N(C)C
Show InChI InChI=1S/C21H30N8O2S/c1-14(2)13-32(30,31)29-9-5-6-15(12-29)25-19-16(10-24-21(27-19)28(3)4)18-11-23-20-17(26-18)7-8-22-20/h7-8,10-11,14-15H,5-6,9,12-13H2,1-4H3,(H,22,23)(H,24,25,27)/t15-/m0/s1
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n/an/a 0.0549n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112576
PNG
(US8618103, I-72)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)S(C)(=O)=O
Show InChI InChI=1S/C20H27N7O4S2/c1-13(2)12-33(30,31)27-8-4-5-14(11-27)24-18-15(9-23-20(26-18)32(3,28)29)17-10-22-19-16(25-17)6-7-21-19/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,21,22)(H,23,24,26)/t14-/m0/s1
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n/an/a 0.0646n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112577
PNG
(US8618103, I-73)
Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CC(C)C)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H27N7O2S2/c1-13(2)12-31(28,29)27-8-4-5-14(11-27)24-18-15(9-23-20(26-18)30-3)17-10-22-19-16(25-17)6-7-21-19/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3,(H,21,22)(H,23,24,26)/t14-/m0/s1
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n/an/a 0.0764n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112578
PNG
(US8618103, I-74)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1
Show InChI InChI=1S/C23H32N8O3S/c1-16(2)15-35(32,33)31-7-3-4-17(14-31)27-21-18(20-13-25-22-19(28-20)5-6-24-22)12-26-23(29-21)30-8-10-34-11-9-30/h5-6,12-13,16-17H,3-4,7-11,14-15H2,1-2H3,(H,24,25)(H,26,27,29)/t17-/m0/s1
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n/an/a 0.0490n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112579
PNG
(US8618103, I-75)
Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H21N7O2S2/c1-27-17-20-8-12(14-9-19-16-13(22-14)5-6-18-16)15(23-17)21-11-4-3-7-24(10-11)28(2,25)26/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21,23)/t11-/m0/s1
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n/an/a 0.139n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112580
PNG
(US8618103, I-76)
Show SMILES CN(C)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H24N8O2S/c1-25(2)18-21-9-13(15-10-20-17-14(23-15)6-7-19-17)16(24-18)22-12-5-4-8-26(11-12)29(3,27)28/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,19,20)(H,21,22,24)/t12-/m0/s1
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n/an/a 0.137n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112581
PNG
(US8618103, I-77)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(N)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H20N8O2S/c1-27(25,26)24-6-2-3-10(9-24)21-14-11(7-20-16(17)23-14)13-8-19-15-12(22-13)4-5-18-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19)(H3,17,20,21,23)/t10-/m0/s1
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n/an/a 0.0713n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112582
PNG
(US8618103, I-78)
Show SMILES CN(C)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]cc(C#N)c2n1
Show InChI InChI=1S/C19H23N9O2S/c1-27(2)19-23-9-14(15-10-22-18-16(25-15)12(7-20)8-21-18)17(26-19)24-13-5-4-6-28(11-13)31(3,29)30/h8-10,13H,4-6,11H2,1-3H3,(H,21,22)(H,23,24,26)/t13-/m0/s1
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n/an/a 0.389n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112583
PNG
(US8618103, I-79)
Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H31N7O2S2/c1-22(2,3)8-11-33(30,31)29-10-5-6-15(14-29)26-19-16(12-25-21(28-19)32-4)18-13-24-20-17(27-18)7-9-23-20/h7,9,12-13,15H,5-6,8,10-11,14H2,1-4H3,(H,23,24)(H,25,26,28)/t15-/m0/s1
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n/an/a 0.0293n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112584
PNG
(US8618103, I-80)
Show SMILES COc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C17H21N7O3S/c1-27-17-20-8-12(14-9-19-16-13(22-14)5-6-18-16)15(23-17)21-11-4-3-7-24(10-11)28(2,25)26/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H,18,19)(H,20,21,23)/t11-/m0/s1
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n/an/a 0.0717n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112585
PNG
(US8618103, I-81)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(Cl)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H18ClN7O2S/c1-27(25,26)24-6-2-3-10(9-24)21-14-11(7-20-16(17)23-14)13-8-19-15-12(22-13)4-5-18-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,18,19)(H,20,21,23)/t10-/m0/s1
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n/an/a 0.131n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112586
PNG
(US8618103, I-82)
Show SMILES CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H29N9O2S/c1-28-8-10-29(11-9-28)21-24-12-16(18-13-23-20-17(26-18)5-6-22-20)19(27-21)25-15-4-3-7-30(14-15)33(2,31)32/h5-6,12-13,15H,3-4,7-11,14H2,1-2H3,(H,22,23)(H,24,25,27)/t15-/m0/s1
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n/an/a 0.0603n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112587
PNG
(US8618103, I-83)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1[nH]c(=O)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C16H19N7O3S/c1-27(25,26)23-6-2-3-10(9-23)20-14-11(7-19-16(24)22-14)13-8-18-15-12(21-13)4-5-17-15/h4-5,7-8,10H,2-3,6,9H2,1H3,(H,17,18)(H2,19,20,22,24)/t10-/m0/s1
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n/an/a 0.129n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112588
PNG
(US8618103, I-84)
Show SMILES CCOc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H23N7O3S/c1-3-28-18-21-9-13(15-10-20-17-14(23-15)6-7-19-17)16(24-18)22-12-5-4-8-25(11-12)29(2,26)27/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,19,20)(H,21,22,24)/t12-/m0/s1
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n/an/a 0.141n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112589
PNG
(US8618103, I-85)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NCCO)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H24N8O3S/c1-30(28,29)26-7-2-3-12(11-26)23-16-13(9-22-18(25-16)20-6-8-27)15-10-21-17-14(24-15)4-5-19-17/h4-5,9-10,12,27H,2-3,6-8,11H2,1H3,(H,19,21)(H2,20,22,23,25)/t12-/m0/s1
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n/an/a 0.0668n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112590
PNG
(US8618103, I-86)
Show SMILES COCCNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H26N8O3S/c1-30-9-7-21-19-23-10-14(16-11-22-18-15(25-16)5-6-20-18)17(26-19)24-13-4-3-8-27(12-13)31(2,28)29/h5-6,10-11,13H,3-4,7-9,12H2,1-2H3,(H,20,22)(H2,21,23,24,26)/t13-/m0/s1
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n/an/a 0.0763n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112591
PNG
(US8618103, I-87)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCOCC1
Show InChI InChI=1S/C20H26N8O3S/c1-32(29,30)28-6-2-3-14(13-28)24-18-15(17-12-22-19-16(25-17)4-5-21-19)11-23-20(26-18)27-7-9-31-10-8-27/h4-5,11-12,14H,2-3,6-10,13H2,1H3,(H,21,22)(H,23,24,26)/t14-/m0/s1
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n/an/a 0.103n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112592
PNG
(US8618103, I-88)
Show SMILES CSc1ncc(c(N[C@H]2CCCN(C2)C(=O)CC#N)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C19H20N8OS/c1-29-19-23-9-13(15-10-22-18-14(25-15)5-7-21-18)17(26-19)24-12-3-2-8-27(11-12)16(28)4-6-20/h5,7,9-10,12H,2-4,8,11H2,1H3,(H,21,22)(H,23,24,26)/t12-/m0/s1
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n/an/a 0.223n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112593
PNG
(US8618103, I-89)
Show SMILES CC(C)(O)CNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H28N8O3S/c1-20(2,29)12-24-19-23-9-14(16-10-22-18-15(26-16)6-7-21-18)17(27-19)25-13-5-4-8-28(11-13)32(3,30)31/h6-7,9-10,13,29H,4-5,8,11-12H2,1-3H3,(H,21,22)(H2,23,24,25,27)/t13-/m0/s1
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n/an/a 0.177n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112594
PNG
(US8618103, I-90)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C20H26N8O4S2/c1-33(29,30)28-6-2-3-14(13-28)24-18-15(17-12-22-19-16(25-17)4-5-21-19)11-23-20(26-18)27-7-9-34(31,32)10-8-27/h4-5,11-12,14H,2-3,6-10,13H2,1H3,(H,21,22)(H,23,24,26)/t14-/m0/s1
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n/an/a 0.255n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112595
PNG
(US8618103, I-91)
Show SMILES COC1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H30N8O3S/c1-33-16-6-10-29(11-7-16)22-25-12-17(19-13-24-21-18(27-19)5-8-23-21)20(28-22)26-15-4-3-9-30(14-15)34(2,31)32/h5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24)(H,25,26,28)/t15-/m0/s1
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n/an/a 0.107n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112596
PNG
(US8618103, I-92)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NCCN)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H25N9O2S/c1-30(28,29)27-8-2-3-12(11-27)24-16-13(9-23-18(26-16)21-7-5-19)15-10-22-17-14(25-15)4-6-20-17/h4,6,9-10,12H,2-3,5,7-8,11,19H2,1H3,(H,20,22)(H2,21,23,24,26)/t12-/m0/s1
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n/an/a 0.167n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112597
PNG
(US8618103, I-93)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(N)=O)CC1
Show InChI InChI=1S/C23H31N9O3S/c1-36(34,35)32-8-2-3-16(14-32)28-21-17(19-13-26-22-18(29-19)4-7-25-22)12-27-23(30-21)31-9-5-15(6-10-31)11-20(24)33/h4,7,12-13,15-16H,2-3,5-6,8-11,14H2,1H3,(H2,24,33)(H,25,26)(H,27,28,30)/t16-/m0/s1
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n/an/a 0.0221n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112598
PNG
(US8618103, I-94)
Show SMILES CC[C@@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H28N8O3S/c1-3-13(12-29)25-20-23-9-15(17-10-22-19-16(26-17)6-7-21-19)18(27-20)24-14-5-4-8-28(11-14)32(2,30)31/h6-7,9-10,13-14,29H,3-5,8,11-12H2,1-2H3,(H,21,22)(H2,23,24,25,27)/t13-,14-/m0/s1
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n/an/a 0.0432n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112599
PNG
(US8618103, I-95)
Show SMILES CC[C@H](CO)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H28N8O3S/c1-3-13(12-29)25-20-23-9-15(17-10-22-19-16(26-17)6-7-21-19)18(27-20)24-14-5-4-8-28(11-14)32(2,30)31/h6-7,9-10,13-14,29H,3-5,8,11-12H2,1-2H3,(H,21,22)(H2,23,24,25,27)/t13-,14+/m1/s1
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n/an/a 0.0540n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112600
PNG
(US8618103, I-96)
Show SMILES CN1CCC(CC1)Nc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H31N9O2S/c1-30-10-6-15(7-11-30)27-22-25-12-17(19-13-24-21-18(28-19)5-8-23-21)20(29-22)26-16-4-3-9-31(14-16)34(2,32)33/h5,8,12-13,15-16H,3-4,6-7,9-11,14H2,1-2H3,(H,23,24)(H2,25,26,27,29)/t16-/m0/s1
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n/an/a 0.108n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112601
PNG
(US8618103, I-97)
Show SMILES CN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(=O)(=O)CCC(C)(C)C)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C26H39N9O2S/c1-26(2,3)8-15-38(36,37)35-10-5-6-19(18-35)30-23-20(22-17-28-24-21(31-22)7-9-27-24)16-29-25(32-23)34-13-11-33(4)12-14-34/h7,9,16-17,19H,5-6,8,10-15,18H2,1-4H3,(H,27,28)(H,29,30,32)/t19-/m0/s1
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n/an/a 0.0172n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112602
PNG
(US8618103, I-98)
Show SMILES CN(C)C1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C23H33N9O2S/c1-30(2)17-7-11-31(12-8-17)23-26-13-18(20-14-25-22-19(28-20)6-9-24-22)21(29-23)27-16-5-4-10-32(15-16)35(3,33)34/h6,9,13-14,16-17H,4-5,7-8,10-12,15H2,1-3H3,(H,24,25)(H,26,27,29)/t16-/m0/s1
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n/an/a 0.137n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112603
PNG
(US8618103, I-99)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)C#N
Show InChI InChI=1S/C17H18N8O2S/c1-28(26,27)25-6-2-3-11(10-25)22-16-12(8-20-15(7-18)24-16)14-9-21-17-13(23-14)4-5-19-17/h4-5,8-9,11H,2-3,6,10H2,1H3,(H,19,21)(H,20,22,24)/t11-/m0/s1
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n/an/a 0.619n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112604
PNG
(US8618103, I-100)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC[C@H](O)C1
Show InChI InChI=1S/C20H26N8O3S/c1-32(30,31)28-7-2-3-13(11-28)24-18-15(17-10-22-19-16(25-17)4-6-21-19)9-23-20(26-18)27-8-5-14(29)12-27/h4,6,9-10,13-14,29H,2-3,5,7-8,11-12H2,1H3,(H,21,22)(H,23,24,26)/t13-,14-/m0/s1
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n/an/a 0.169n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112605
PNG
(US8618103, I-101)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC[C@@H](O)C1
Show InChI InChI=1S/C20H26N8O3S/c1-32(30,31)28-7-2-3-13(11-28)24-18-15(17-10-22-19-16(25-17)4-6-21-19)9-23-20(26-18)27-8-5-14(29)12-27/h4,6,9-10,13-14,29H,2-3,5,7-8,11-12H2,1H3,(H,21,22)(H,23,24,26)/t13-,14+/m0/s1
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n/an/a 0.180n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112606
PNG
(US8618103, I-102)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CC(C1)C#N
Show InChI InChI=1S/C20H23N9O2S/c1-32(30,31)29-6-2-3-14(12-29)25-18-15(17-9-23-19-16(26-17)4-5-22-19)8-24-20(27-18)28-10-13(7-21)11-28/h4-5,8-9,13-14H,2-3,6,10-12H2,1H3,(H,22,23)(H,24,25,27)/t14-/m0/s1
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n/an/a 0.0485n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112607
PNG
(US8618103, I-103)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(NC2CCC(CC2)C#N)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C23H29N9O2S/c1-35(33,34)32-10-2-3-17(14-32)28-21-18(20-13-26-22-19(30-20)8-9-25-22)12-27-23(31-21)29-16-6-4-15(11-24)5-7-16/h8-9,12-13,15-17H,2-7,10,14H2,1H3,(H,25,26)(H2,27,28,29,31)/t15?,16?,17-/m0/s1
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n/an/a 0.145n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112608
PNG
(US8618103, I-104)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H30N10O2S/c1-38(36,37)35-10-4-5-18(17-35)30-23-19(21-16-28-24-20(31-21)7-9-27-24)15-29-25(32-23)34-13-11-33(12-14-34)22-6-2-3-8-26-22/h2-3,6-9,15-16,18H,4-5,10-14,17H2,1H3,(H,27,28)(H,29,30,32)/t18-/m0/s1
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n/an/a 0.175n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112609
PNG
(US8618103, I-105)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(O)=O)CC1
Show InChI InChI=1S/C23H30N8O4S/c1-36(34,35)31-8-2-3-16(14-31)27-21-17(19-13-25-22-18(28-19)4-7-24-22)12-26-23(29-21)30-9-5-15(6-10-30)11-20(32)33/h4,7,12-13,15-16H,2-3,5-6,8-11,14H2,1H3,(H,24,25)(H,32,33)(H,26,27,29)/t16-/m0/s1
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n/an/a 0.113n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112610
PNG
(US8618103, I-106)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(Nc2ccncc2)ncc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H23N9O2S/c1-33(31,32)30-10-2-3-15(13-30)26-19-16(18-12-24-20-17(28-18)6-9-23-20)11-25-21(29-19)27-14-4-7-22-8-5-14/h4-9,11-12,15H,2-3,10,13H2,1H3,(H,23,24)(H2,22,25,26,27,29)/t15-/m0/s1
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n/an/a 0.638n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112611
PNG
(US8618103, I-107)
Show SMILES CN(C)CCNc1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C20H29N9O2S/c1-28(2)10-8-22-20-24-11-15(17-12-23-19-16(26-17)6-7-21-19)18(27-20)25-14-5-4-9-29(13-14)32(3,30)31/h6-7,11-12,14H,4-5,8-10,13H2,1-3H3,(H,21,23)(H2,22,24,25,27)/t14-/m0/s1
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n/an/a 0.192n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112612
PNG
(US8618103, I-108)
Show SMILES CCN1CCN(CC1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H31N9O2S/c1-3-29-9-11-30(12-10-29)22-25-13-17(19-14-24-21-18(27-19)6-7-23-21)20(28-22)26-16-5-4-8-31(15-16)34(2,32)33/h6-7,13-14,16H,3-5,8-12,15H2,1-2H3,(H,23,24)(H,25,26,28)/t16-/m0/s1
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n/an/a 0.212n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112613
PNG
(US8618103, I-109)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ncc(c(N[C@H]2CCCN(C2)S(C)(=O)=O)n1)-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C22H31N9O2S/c1-29(2)16-7-10-30(14-16)22-25-11-17(19-12-24-21-18(27-19)6-8-23-21)20(28-22)26-15-5-4-9-31(13-15)34(3,32)33/h6,8,11-12,15-16H,4-5,7,9-10,13-14H2,1-3H3,(H,23,24)(H,25,26,28)/t15-,16+/m0/s1
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n/an/a 0.0708n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112614
PNG
(US8618103, I-110)
Show SMILES CC(C)CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H35N9O2S/c1-17(2)16-36(34,35)33-8-4-5-18(15-33)28-22-19(21-14-26-23-20(29-21)6-7-25-23)13-27-24(30-22)32-11-9-31(3)10-12-32/h6-7,13-14,17-18H,4-5,8-12,15-16H2,1-3H3,(H,25,26)(H,27,28,30)/t18-/m0/s1
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n/an/a 0.0585n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112615
PNG
(US8618103, I-111)
Show SMILES CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H37N9O2S/c1-17(2)16-37(35,36)34-14-18(3)11-19(15-34)29-23-20(22-13-27-24-21(30-22)5-6-26-24)12-28-25(31-23)33-9-7-32(4)8-10-33/h5-6,12-13,17-19H,7-11,14-16H2,1-4H3,(H,26,27)(H,28,29,31)/t18-,19-/m0/s1
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n/an/a 0.0838n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112616
PNG
(US8618103, I-112)
Show SMILES C[C@H]1C[C@@H](CN(C1)S(=O)(=O)CC#N)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N10O2S/c1-16-11-17(15-33(14-16)36(34,35)10-4-24)28-21-18(20-13-26-22-19(29-20)3-5-25-22)12-27-23(30-21)32-8-6-31(2)7-9-32/h3,5,12-13,16-17H,6-11,14-15H2,1-2H3,(H,25,26)(H,27,28,30)/t16-,17-/m0/s1
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n/an/a 0.0782n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112617
PNG
(US8618103, I-113)
Show SMILES C[C@H]1C[C@@H](CN(C1)S(C)(=O)=O)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCN(C)CC1
Show InChI InChI=1S/C22H31N9O2S/c1-15-10-16(14-31(13-15)34(3,32)33)26-20-17(19-12-24-21-18(27-19)4-5-23-21)11-25-22(28-20)30-8-6-29(2)7-9-30/h4-5,11-12,15-16H,6-10,13-14H2,1-3H3,(H,23,24)(H,25,26,28)/t15-,16-/m0/s1
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n/an/a 0.217n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112618
PNG
(US8618103, I-114)
Show SMILES CS(=O)(=O)N1C[C@H](C[C@@H](C1)C(F)(F)F)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C18H19F3N6O2S/c1-30(28,29)27-9-11(18(19,20)21)7-12(10-27)25-16-13(3-2-5-22-16)15-8-24-17-14(26-15)4-6-23-17/h2-6,8,11-12H,7,9-10H2,1H3,(H,22,25)(H,23,24)/t11-,12-/m0/s1
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n/an/a 0.556n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112619
PNG
(US8618103, I-115)
Show SMILES CC(C)CS(=O)(=O)N1C[C@H](C[C@@H](C1)C(F)(F)F)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H25F3N6O2S/c1-13(2)12-33(31,32)30-10-14(21(22,23)24)8-15(11-30)28-19-16(4-3-6-25-19)18-9-27-20-17(29-18)5-7-26-20/h3-7,9,13-15H,8,10-12H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-/m0/s1
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n/an/a 0.464n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM112620
PNG
(US8618103, I-116)
Show SMILES N#CCC1(COC1)N1CCC[C@@H](C1)Nc1ncccc1-c1cnc2[nH]ccc2n1
Show InChI InChI=1S/C21H23N7O/c22-7-6-21(13-29-14-21)28-10-2-3-15(12-28)26-19-16(4-1-8-23-19)18-11-25-20-17(27-18)5-9-24-20/h1,4-5,8-9,11,15H,2-3,6,10,12-14H2,(H,23,26)(H,24,25)/t15-/m0/s1
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n/an/a 0.218n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair
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