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Compile Data Set for Download or QSAR

Found 95 hits Enz. Inhib. hit(s) with all data for entry = 6843   
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))
BDBM153667
PNG
(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
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US Patent
0.400n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153669
PNG
(US8999998, 217)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O |(1.54,-5.36,;.77,-4.03,;1.54,-2.7,;3.08,-2.7,;3.85,-1.36,;3.08,-.03,;3.85,1.31,;1.54,-.03,;.77,-1.36,;-.77,-1.36,;-1.67,-.12,;-.9,1.22,;-1.67,2.55,;-3.16,2.15,;-.9,3.89,;-1.81,5.13,;-3.35,5.13,;-.9,6.38,;.56,5.9,;1.89,6.67,;3.23,5.9,;3.23,4.36,;1.89,3.59,;.56,4.36,;-3.14,-.59,;-3.14,-2.13,;-1.67,-2.61,;-1.28,-4.09,;-2.36,-5.18,;-1.97,-6.67,;-3.85,-4.79,)|
Show InChI InChI=1S/C19H17ClN8O3/c1-31-13-4-3-10(20)7-11(13)16-12(8-24-28(16)9-14(21)29)25-19(30)15-17(22)26-27-6-2-5-23-18(15)27/h2-8H,9H2,1H3,(H2,21,29)(H2,22,26)(H,25,30)
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0.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153671
PNG
(US8999998, 300)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:19|
Show InChI InChI=1S/C24H22ClN7O3/c1-35-20-7-6-16(25)12-17(20)22-19(14-31(29-22)15-21(33)30-9-3-2-4-10-30)28-24(34)18-13-27-32-11-5-8-26-23(18)32/h2-3,5-8,11-14H,4,9-10,15H2,1H3,(H,28,34)
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0.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153667
PNG
(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
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0.700n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153670
PNG
(US8999998, 283)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H24ClN7O3/c1-15-5-3-9-31(15)21(33)14-30-13-19(22(29-30)17-11-16(25)6-7-20(17)35-2)28-24(34)18-12-27-32-10-4-8-26-23(18)32/h4,6-8,10-13,15H,3,5,9,14H2,1-2H3,(H,28,34)
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0.700n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153663
PNG
(US8999998, 109)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO |(1.2,-5.39,;.43,-4.06,;1.2,-2.73,;2.74,-2.73,;3.51,-1.39,;2.74,-.06,;3.51,1.27,;1.2,-.06,;.43,-1.39,;-1.11,-1.39,;-2.02,-.15,;-1.25,1.19,;-2.02,2.52,;-3.51,2.12,;-1.25,3.85,;-2.15,5.1,;-1.25,6.35,;.22,5.87,;1.55,6.64,;2.88,5.87,;2.88,4.33,;1.55,3.56,;.22,4.33,;-3.48,-.62,;-3.48,-2.16,;-2.02,-2.64,;-1.25,-3.97,;-2.02,-5.31,;-1.25,-6.64,)|
Show InChI InChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28)
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1n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153672
PNG
(US8999998, 359)
Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)
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1n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153666
PNG
(US8999998, 158)
Show SMILES COc1ncc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C17H12N8O2/c1-27-17-11(5-10(6-18)7-20-17)14-13(9-21-24-14)23-16(26)12-8-22-25-4-2-3-19-15(12)25/h2-5,7-9H,1H3,(H,21,24)(H,23,26)
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1.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153677
PNG
(US8999998, 432)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)
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1.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
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1.60n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153669
PNG
(US8999998, 217)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O |(1.54,-5.36,;.77,-4.03,;1.54,-2.7,;3.08,-2.7,;3.85,-1.36,;3.08,-.03,;3.85,1.31,;1.54,-.03,;.77,-1.36,;-.77,-1.36,;-1.67,-.12,;-.9,1.22,;-1.67,2.55,;-3.16,2.15,;-.9,3.89,;-1.81,5.13,;-3.35,5.13,;-.9,6.38,;.56,5.9,;1.89,6.67,;3.23,5.9,;3.23,4.36,;1.89,3.59,;.56,4.36,;-3.14,-.59,;-3.14,-2.13,;-1.67,-2.61,;-1.28,-4.09,;-2.36,-5.18,;-1.97,-6.67,;-3.85,-4.79,)|
Show InChI InChI=1S/C19H17ClN8O3/c1-31-13-4-3-10(20)7-11(13)16-12(8-24-28(16)9-14(21)29)25-19(30)15-17(22)26-27-6-2-5-23-18(15)27/h2-8H,9H2,1H3,(H2,21,29)(H2,22,26)(H,25,30)
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2.10n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153667
PNG
(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
PDB

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2.10n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153673
PNG
(US8999998, 364)
Show SMILES COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H23FN6O4/c1-33-19-4-3-15(24)11-16(19)20-18(13-29(28-20)14-23(32)5-9-34-10-6-23)27-22(31)17-12-26-30-8-2-7-25-21(17)30/h2-4,7-8,11-13,32H,5-6,9-10,14H2,1H3,(H,27,31)
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2.30n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153669
PNG
(US8999998, 217)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O |(1.54,-5.36,;.77,-4.03,;1.54,-2.7,;3.08,-2.7,;3.85,-1.36,;3.08,-.03,;3.85,1.31,;1.54,-.03,;.77,-1.36,;-.77,-1.36,;-1.67,-.12,;-.9,1.22,;-1.67,2.55,;-3.16,2.15,;-.9,3.89,;-1.81,5.13,;-3.35,5.13,;-.9,6.38,;.56,5.9,;1.89,6.67,;3.23,5.9,;3.23,4.36,;1.89,3.59,;.56,4.36,;-3.14,-.59,;-3.14,-2.13,;-1.67,-2.61,;-1.28,-4.09,;-2.36,-5.18,;-1.97,-6.67,;-3.85,-4.79,)|
Show InChI InChI=1S/C19H17ClN8O3/c1-31-13-4-3-10(20)7-11(13)16-12(8-24-28(16)9-14(21)29)25-19(30)15-17(22)26-27-6-2-5-23-18(15)27/h2-8H,9H2,1H3,(H2,21,29)(H2,22,26)(H,25,30)
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2.30n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153671
PNG
(US8999998, 300)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:19|
Show InChI InChI=1S/C24H22ClN7O3/c1-35-20-7-6-16(25)12-17(20)22-19(14-31(29-22)15-21(33)30-9-3-2-4-10-30)28-24(34)18-13-27-32-11-5-8-26-23(18)32/h2-3,5-8,11-14H,4,9-10,15H2,1H3,(H,28,34)
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2.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153665
PNG
(US8999998, 155)
Show SMILES COc1ccc(cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C22H18N10O2/c1-30-13-25-28-19(30)12-31-11-17(20(29-31)15-8-14(9-23)4-5-18(15)34-2)27-22(33)16-10-26-32-7-3-6-24-21(16)32/h3-8,10-11,13H,12H2,1-2H3,(H,27,33)
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2.60n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153670
PNG
(US8999998, 283)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H24ClN7O3/c1-15-5-3-9-31(15)21(33)14-30-13-19(22(29-30)17-11-16(25)6-7-20(17)35-2)28-24(34)18-12-27-32-10-4-8-26-23(18)32/h4,6-8,10-13,15H,3,5,9,14H2,1-2H3,(H,28,34)
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US Patent
3.10n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153658
PNG
(US8999998, 41)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H12Cl2N6O/c1-10-7-15(25(23-10)14-8-11(18)3-4-13(14)19)22-17(26)12-9-21-24-6-2-5-20-16(12)24/h2-9H,1H3,(H,22,26)
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3.30n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153676
PNG
(US8999998, 414)
Show SMILES CCOc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)[C@H]1CCCC[C@@H]1O |r|
Show InChI InChI=1S/C24H25ClN6O3/c1-2-34-21-9-8-15(25)12-16(21)22-18(14-31(29-22)19-6-3-4-7-20(19)32)28-24(33)17-13-27-30-11-5-10-26-23(17)30/h5,8-14,19-20,32H,2-4,6-7H2,1H3,(H,28,33)/t19-,20-/m0/s1
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3.80n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153665
PNG
(US8999998, 155)
Show SMILES COc1ccc(cc1-c1nn(Cc2nncn2C)cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C22H18N10O2/c1-30-13-25-28-19(30)12-31-11-17(20(29-31)15-8-14(9-23)4-5-18(15)34-2)27-22(33)16-10-26-32-7-3-6-24-21(16)32/h3-8,10-11,13H,12H2,1-2H3,(H,27,33)
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4.20n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153672
PNG
(US8999998, 359)
Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)
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4.20n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153663
PNG
(US8999998, 109)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO |(1.2,-5.39,;.43,-4.06,;1.2,-2.73,;2.74,-2.73,;3.51,-1.39,;2.74,-.06,;3.51,1.27,;1.2,-.06,;.43,-1.39,;-1.11,-1.39,;-2.02,-.15,;-1.25,1.19,;-2.02,2.52,;-3.51,2.12,;-1.25,3.85,;-2.15,5.1,;-1.25,6.35,;.22,5.87,;1.55,6.64,;2.88,5.87,;2.88,4.33,;1.55,3.56,;.22,4.33,;-3.48,-.62,;-3.48,-2.16,;-2.02,-2.64,;-1.25,-3.97,;-2.02,-5.31,;-1.25,-6.64,)|
Show InChI InChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28)
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4.40n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153666
PNG
(US8999998, 158)
Show SMILES COc1ncc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C17H12N8O2/c1-27-17-11(5-10(6-18)7-20-17)14-13(9-21-24-14)23-16(26)12-8-22-25-4-2-3-19-15(12)25/h2-5,7-9H,1H3,(H,21,24)(H,23,26)
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4.80n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153656
PNG
(US8999998, 6)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1C
Show InChI InChI=1S/C18H15ClN6O/c1-11-4-5-13(19)9-15(11)25-16(8-12(2)23-25)22-18(26)14-10-21-24-7-3-6-20-17(14)24/h3-10H,1-2H3,(H,22,26)
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4.90n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153669
PNG
(US8999998, 217)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O |(1.54,-5.36,;.77,-4.03,;1.54,-2.7,;3.08,-2.7,;3.85,-1.36,;3.08,-.03,;3.85,1.31,;1.54,-.03,;.77,-1.36,;-.77,-1.36,;-1.67,-.12,;-.9,1.22,;-1.67,2.55,;-3.16,2.15,;-.9,3.89,;-1.81,5.13,;-3.35,5.13,;-.9,6.38,;.56,5.9,;1.89,6.67,;3.23,5.9,;3.23,4.36,;1.89,3.59,;.56,4.36,;-3.14,-.59,;-3.14,-2.13,;-1.67,-2.61,;-1.28,-4.09,;-2.36,-5.18,;-1.97,-6.67,;-3.85,-4.79,)|
Show InChI InChI=1S/C19H17ClN8O3/c1-31-13-4-3-10(20)7-11(13)16-12(8-24-28(16)9-14(21)29)25-19(30)15-17(22)26-27-6-2-5-23-18(15)27/h2-8H,9H2,1H3,(H2,21,29)(H2,22,26)(H,25,30)
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US Patent
5.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Ty...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153663
PNG
(US8999998, 109)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO |(1.2,-5.39,;.43,-4.06,;1.2,-2.73,;2.74,-2.73,;3.51,-1.39,;2.74,-.06,;3.51,1.27,;1.2,-.06,;.43,-1.39,;-1.11,-1.39,;-2.02,-.15,;-1.25,1.19,;-2.02,2.52,;-3.51,2.12,;-1.25,3.85,;-2.15,5.1,;-1.25,6.35,;.22,5.87,;1.55,6.64,;2.88,5.87,;2.88,4.33,;1.55,3.56,;.22,4.33,;-3.48,-.62,;-3.48,-2.16,;-2.02,-2.64,;-1.25,-3.97,;-2.02,-5.31,;-1.25,-6.64,)|
Show InChI InChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28)
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5.60n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153677
PNG
(US8999998, 432)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)
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5.70n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153657
PNG
(US8999998, 38)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(ccc1C)C#N
Show InChI InChI=1S/C19H15N7O/c1-12-4-5-14(10-20)9-16(12)26-17(8-13(2)24-26)23-19(27)15-11-22-25-7-3-6-21-18(15)25/h3-9,11H,1-2H3,(H,23,27)
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5.70n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
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5.80n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153673
PNG
(US8999998, 364)
Show SMILES COc1ccc(F)cc1-c1nn(CC2(O)CCOCC2)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C23H23FN6O4/c1-33-19-4-3-15(24)11-16(19)20-18(13-29(28-20)14-23(32)5-9-34-10-6-23)27-22(31)17-12-26-30-8-2-7-25-21(17)30/h2-4,7-8,11-13,32H,5-6,9-10,14H2,1H3,(H,27,31)
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US Patent
6.20n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153666
PNG
(US8999998, 158)
Show SMILES COc1ncc(cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C17H12N8O2/c1-27-17-11(5-10(6-18)7-20-17)14-13(9-21-24-14)23-16(26)12-8-22-25-4-2-3-19-15(12)25/h2-5,7-9H,1H3,(H,21,24)(H,23,26)
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6.60n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153670
PNG
(US8999998, 283)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C24H24ClN7O3/c1-15-5-3-9-31(15)21(33)14-30-13-19(22(29-30)17-11-16(25)6-7-20(17)35-2)28-24(34)18-12-27-32-10-4-8-26-23(18)32/h4,6-8,10-13,15H,3,5,9,14H2,1-2H3,(H,28,34)
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9.10n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153671
PNG
(US8999998, 300)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12 |c:19|
Show InChI InChI=1S/C24H22ClN7O3/c1-35-20-7-6-16(25)12-17(20)22-19(14-31(29-22)15-21(33)30-9-3-2-4-10-30)28-24(34)18-13-27-32-11-5-8-26-23(18)32/h2-3,5-8,11-14H,4,9-10,15H2,1H3,(H,28,34)
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10n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153664
PNG
(US8999998, 143)
Show SMILES COc1cnc(cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O3/c1-20(2,33)11-30-10-14(28-19(32)13-8-27-31-6-4-5-25-18(13)31)17(29-30)12-7-16(21(22,23)24)26-9-15(12)34-3/h4-10,33H,11H2,1-3H3,(H,28,32)
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12n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153676
PNG
(US8999998, 414)
Show SMILES CCOc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)[C@H]1CCCC[C@@H]1O |r|
Show InChI InChI=1S/C24H25ClN6O3/c1-2-34-21-9-8-15(25)12-16(21)22-18(14-31(29-22)19-6-3-4-7-20(19)32)28-24(33)17-13-27-30-11-5-10-26-23(17)30/h5,8-14,19-20,32H,2-4,6-7H2,1H3,(H,28,33)/t19-,20-/m0/s1
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12.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153667
PNG
(US8999998, 170)
Show SMILES COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H14ClN5O2S/c1-10-22-15(12-8-11(19)4-5-14(12)26-2)18(27-10)23-17(25)13-9-21-24-7-3-6-20-16(13)24/h3-9H,1-2H3,(H,23,25)
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13n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Ty...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50399021
PNG
(CHEMBL2178799 | US8999998, 28)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H12Cl2N6O/c1-24-9-14(15(23-24)11-7-10(18)3-4-13(11)19)22-17(26)12-8-21-25-6-2-5-20-16(12)25/h2-9H,1H3,(H,22,26)
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13.7n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153678
PNG
(US8999998, 499)
Show SMILES COc1ncc(Cl)cc1-c1nn(CC(=O)N(C)C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H19ClN8O3/c1-27(2)16(30)11-28-10-15(17(26-28)13-7-12(21)8-23-20(13)32-3)25-19(31)14-9-24-29-6-4-5-22-18(14)29/h4-10H,11H2,1-3H3,(H,25,31)
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14n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153660
PNG
(US8999998, 51)
Show SMILES Clc1ccccc1-n1nccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C16H11ClN6O/c17-12-4-1-2-5-13(12)23-14(6-8-19-23)21-16(24)11-10-20-22-9-3-7-18-15(11)22/h1-10H,(H,21,24)
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15.2n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153659
PNG
(US8999998, 44)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1ccccc1Br
Show InChI InChI=1S/C17H13BrN6O/c1-11-9-15(24(22-11)14-6-3-2-5-13(14)18)21-17(25)12-10-20-23-8-4-7-19-16(12)23/h2-10H,1H3,(H,21,25)
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18n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153663
PNG
(US8999998, 109)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO |(1.2,-5.39,;.43,-4.06,;1.2,-2.73,;2.74,-2.73,;3.51,-1.39,;2.74,-.06,;3.51,1.27,;1.2,-.06,;.43,-1.39,;-1.11,-1.39,;-2.02,-.15,;-1.25,1.19,;-2.02,2.52,;-3.51,2.12,;-1.25,3.85,;-2.15,5.1,;-1.25,6.35,;.22,5.87,;1.55,6.64,;2.88,5.87,;2.88,4.33,;1.55,3.56,;.22,4.33,;-3.48,-.62,;-3.48,-2.16,;-2.02,-2.64,;-1.25,-3.97,;-2.02,-5.31,;-1.25,-6.64,)|
Show InChI InChI=1S/C19H17ClN6O3/c1-29-16-4-3-12(20)9-13(16)17-15(11-23-25(17)7-8-27)24-19(28)14-10-22-26-6-2-5-21-18(14)26/h2-6,9-11,27H,7-8H2,1H3,(H,24,28)
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18n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Ty...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153662
PNG
(US8999998, 63)
Show SMILES Fc1cccc(c1)-c1cnccc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C18H12FN5O/c19-13-4-1-3-12(9-13)14-10-20-7-5-16(14)23-18(25)15-11-22-24-8-2-6-21-17(15)24/h1-11H,(H,20,23,25)
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23n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153674
PNG
(US8999998, 379)
Show SMILES CC1CCCCN1c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C20H27N7O2/c1-14-7-4-5-9-26(14)18-16(12-25(24-18)13-20(2,3)29)23-19(28)15-11-22-27-10-6-8-21-17(15)27/h6,8,10-12,14,29H,4-5,7,9,13H2,1-3H3,(H,23,28)
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26.3n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153677
PNG
(US8999998, 432)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(O)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1S/C21H15ClF6N6O3/c1-37-15-4-3-11(22)7-12(15)16-14(31-18(35)13-8-30-34-6-2-5-29-17(13)34)9-33(32-16)10-19(36,20(23,24)25)21(26,27)28/h2-9,36H,10H2,1H3,(H,31,35)
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31n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153675
PNG
(US8999998, 395)
Show SMILES O=C(Nc1c[nH]nc1N1CCC(CC1)C#N)c1cnn2cccnc12
Show InChI InChI=1S/C16H16N8O/c17-8-11-2-6-23(7-3-11)15-13(10-19-22-15)21-16(25)12-9-20-24-5-1-4-18-14(12)24/h1,4-5,9-11H,2-3,6-7H2,(H,19,22)(H,21,25)
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31.3n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153658
PNG
(US8999998, 41)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C17H12Cl2N6O/c1-10-7-15(25(23-10)14-8-11(18)3-4-13(14)19)22-17(26)12-9-21-24-6-2-5-20-16(12)24/h2-9H,1H3,(H,22,26)
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35.1n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM153664
PNG
(US8999998, 143)
Show SMILES COc1cnc(cc1-c1nn(CC(C)(C)O)cc1NC(=O)c1cnn2cccnc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O3/c1-20(2,33)11-30-10-14(28-19(32)13-8-27-31-6-4-5-25-18(13)31)17(29-30)12-7-16(21(22,23)24)26-9-15(12)34-3/h4-10,33H,11H2,1-3H3,(H,28,32)
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38.5n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153657
PNG
(US8999998, 38)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(ccc1C)C#N
Show InChI InChI=1S/C19H15N7O/c1-12-4-5-14(10-20)9-16(12)26-17(8-13(2)24-26)23-19(27)15-11-22-25-7-3-6-21-18(15)25/h3-9,11H,1-2H3,(H,23,27)
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40.3n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM153672
PNG
(US8999998, 359)
Show SMILES COc1ccc(cc1-c1nn(CC2(O)CCCC2)cc1NC(=O)c1cnn2cccnc12)C#N
Show InChI InChI=1S/C24H23N7O3/c1-34-20-6-5-16(12-25)11-17(20)21-19(14-30(29-21)15-24(33)7-2-3-8-24)28-23(32)18-13-27-31-10-4-9-26-22(18)31/h4-6,9-11,13-14,33H,2-3,7-8,15H2,1H3,(H,28,32)
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46n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM153656
PNG
(US8999998, 6)
Show SMILES Cc1cc(NC(=O)c2cnn3cccnc23)n(n1)-c1cc(Cl)ccc1C
Show InChI InChI=1S/C18H15ClN6O/c1-11-4-5-13(19)9-15(11)25-16(8-12(2)23-25)22-18(26)14-10-21-24-7-3-6-20-17(14)24/h3-10H,1-2H3,(H,22,26)
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46.2n/an/an/an/an/an/a7.2n/a



Genentech, Inc.

US Patent


Assay Description
The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-...


US Patent US8999998 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FN6
More data for this
Ligand-Target Pair
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