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Compile Data Set for Download or QSAR

Found 1305 hits Enz. Inhib. hit(s) with Target = 'JAK2/TYK2' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
JAK2/TYK2


(Homo sapiens (Human))
BDBM120141
PNG
(US8697708, 224)
Show SMILES Nc1cc(Nc2ncc(C#N)c3nc(sc23)-c2c(F)cccc2[N+]#[C-])ncn1
Show InChI InChI=1S/C18H9FN8S/c1-22-11-4-2-3-10(19)14(11)18-27-15-9(6-20)7-23-17(16(15)28-18)26-13-5-12(21)24-8-25-13/h2-5,7-8H,(H3,21,23,24,25,26)
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120132
PNG
(US8697708, 18)
Show SMILES OCc1ccnc(Nc2nccc3nc(sc23)-c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C18H12Cl2N4OS/c19-11-2-1-3-12(20)15(11)18-23-13-5-7-22-17(16(13)26-18)24-14-8-10(9-25)4-6-21-14/h1-8,25H,9H2,(H,21,22,24)
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120140
PNG
(US8697708, 223)
Show SMILES Nc1cc(Nc2ncc(C#N)c3nc(sc23)-c2c(F)cccc2Cl)ncn1
Show InChI InChI=1S/C17H9ClFN7S/c18-9-2-1-3-10(19)13(9)17-26-14-8(5-20)6-22-16(15(14)27-17)25-12-4-11(21)23-7-24-12/h1-4,6-7H,(H3,21,22,23,24,25)
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0.400n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120128
PNG
(US8697708, 2)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(NC(=O)C3CC3)c2s1
Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22)
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120143
PNG
(US8697708, 236)
Show SMILES Cc1nc(CO)cc(Nc2nccc3nc(sc23)-c2c(Cl)cccc2[N+]#[C-])n1
Show InChI InChI=1S/C19H13ClN6OS/c1-10-23-11(9-27)8-15(24-10)26-18-17-14(6-7-22-18)25-19(28-17)16-12(20)4-3-5-13(16)21-2/h3-8,27H,9H2,1H3,(H,22,23,24,26)
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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0.550n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of purified TYK2 incubated for 30 mins


J Med Chem 55: 10090-107 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120142
PNG
(US8697708, 227)
Show SMILES Cc1cc(Nc2nccc3nc(sc23)-c2c(cc(cc2[N+]#[C-])C#N)[N+]#[C-])nc(C)n1
Show InChI InChI=1S/C21H12N8S/c1-11-7-17(27-12(2)26-11)29-20-19-14(5-6-25-20)28-21(30-19)18-15(23-3)8-13(10-22)9-16(18)24-4/h5-9H,1-2H3,(H,25,26,27,29)
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120133
PNG
(US8697708, 22)
Show SMILES Cc1cc(Nc2nccc3nc(sc23)-c2c(Cl)cc(CO)cc2Cl)ncn1
Show InChI InChI=1S/C18H13Cl2N5OS/c1-9-4-14(23-8-22-9)25-17-16-13(2-3-21-17)24-18(27-16)15-11(19)5-10(7-26)6-12(15)20/h2-6,8,26H,7H2,1H3,(H,21,22,23,25)
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120129
PNG
(US8697708, 9)
Show SMILES COC(=O)Nc1nccc2nc(sc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H9Cl2N3O2S/c1-21-14(20)19-12-11-9(5-6-17-12)18-13(22-11)10-7(15)3-2-4-8(10)16/h2-6H,1H3,(H,17,19,20)
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120131
PNG
(US8697708, 16)
Show SMILES Fc1cccc(Cl)c1-c1nc2ccnc(NC(=O)NC3CC3)c2s1
Show InChI InChI=1S/C16H12ClFN4OS/c17-9-2-1-3-10(18)12(9)15-21-11-6-7-19-14(13(11)24-15)22-16(23)20-8-4-5-8/h1-3,6-8H,4-5H2,(H2,19,20,22,23)
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1.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120139
PNG
(US8697708, 213)
Show SMILES Fc1cnc(NC(=O)C2CC2)c2sc(nc12)-c1c(Cl)cc(cc1Cl)C#N
Show InChI InChI=1S/C17H9Cl2FN4OS/c18-9-3-7(5-21)4-10(19)12(9)17-23-13-11(20)6-22-15(14(13)26-17)24-16(25)8-1-2-8/h3-4,6,8H,1-2H2,(H,22,24,25)
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1.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120137
PNG
(US8697708, 129)
Show SMILES CCc1cc(Nc2nccc3nc(sc23)-c2c(Cl)cc(cc2Cl)C(N)=O)ncn1
Show InChI InChI=1S/C19H14Cl2N6OS/c1-2-10-7-14(25-8-24-10)27-18-16-13(3-4-23-18)26-19(29-16)15-11(20)5-9(17(22)28)6-12(15)21/h3-8H,2H2,1H3,(H2,22,28)(H,23,24,25,27)
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1.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/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)
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2.10n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM153669
PNG
(US8999998, 217)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2c(N)nn3cccnc23)cnn1CC(N)=O
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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116315
PNG
(US8637526, 248)
Show SMILES Nc1ccn2ncc(C(=O)Nc3c[nH]nc3-c3cc(Cl)ccc3Cl)c2n1
Show InChI InChI=1S/C16H11Cl2N7O/c17-8-1-2-11(18)9(5-8)14-12(7-20-24-14)22-16(26)10-6-21-25-4-3-13(19)23-15(10)25/h1-7H,(H2,19,23)(H,20,24)(H,22,26)
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4.10n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120138
PNG
(US8697708, 138)
Show SMILES Cc1cc(Nc2nccc3nc(sc23)-c2c(Cl)cc(cc2Cl)C2CC2)ncn1
Show InChI InChI=1S/C20H15Cl2N5S/c1-10-6-16(25-9-24-10)27-19-18-15(4-5-23-19)26-20(28-18)17-13(21)7-12(8-14(17)22)11-2-3-11/h4-9,11H,2-3H2,1H3,(H,23,24,25,27)
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4.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50391993
PNG
(CHEMBL2152297)
Show SMILES C[C@@H]1CCN(C[C@@H]1n1cnc2cnc3[nH]ccc3c12)C(=O)CC#N
Show InChI InChI=1S/C17H18N6O/c1-11-4-7-22(15(24)2-5-18)9-14(11)23-10-21-13-8-20-17-12(16(13)23)3-6-19-17/h3,6,8,10-11,14H,2,4,7,9H2,1H3,(H,19,20)/t11-,14+/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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4.39n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged TYK2 using 5-FAM-KKSRGDYMTMQIG as substrate by peptide mobility shift assay


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK2/TYK2


(Homo sapiens (Human))
BDBM50391996
PNG
(CHEMBL2152300)
Show SMILES O=C(CC#N)N1CCC[C@H](C1)n1cnc2cnc3[nH]ccc3c12
Show InChI InChI=1S/C16H16N6O/c17-5-3-14(23)21-7-1-2-11(9-21)22-10-20-13-8-19-16-12(15(13)22)4-6-18-16/h4,6,8,10-11H,1-3,7,9H2,(H,18,19)/t11-/m1/s1
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4.70n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM153663
PNG
(US8999998, 109)
Show SMILES COc1ccc(Cl)cc1-c1c(NC(=O)c2cnn3cccnc23)cnn1CCO
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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50393744
PNG
(CHEMBL2159210)
Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@@H]1CCC[C@@H](O)C1
Show InChI InChI=1S/C15H18N4O/c1-9-18-13-8-17-15-12(5-6-16-15)14(13)19(9)10-3-2-4-11(20)7-10/h5-6,8,10-11,20H,2-4,7H2,1H3,(H,16,17)/t10-,11-/m1/s1
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6.20n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120134
PNG
(US8697708, 24)
Show SMILES Clc1cccc(Cl)c1-c1nc2ncnc(NC(=O)C3CC3)c2s1
Show InChI InChI=1S/C15H10Cl2N4OS/c16-8-2-1-3-9(17)10(8)15-21-13-11(23-15)12(18-6-19-13)20-14(22)7-4-5-7/h1-3,6-7H,4-5H2,(H,18,19,20,22)
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6.20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50399016
PNG
(CHEMBL2178803 | US8637526, 225)
Show SMILES Cc1ccc(C)c(c1)-c1nn(C)cc1NC(=O)c1cnn2ccc(N)nc12
Show InChI InChI=1S/C19H19N7O/c1-11-4-5-12(2)13(8-11)17-15(10-25(3)24-17)22-19(27)14-9-21-26-7-6-16(20)23-18(14)26/h4-10H,1-3H3,(H2,20,23)(H,22,27)
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7.30n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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7.80n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK2/TYK2


(Homo sapiens (Human))
BDBM120136
PNG
(US8697708, 56)
Show SMILES Cc1cc(Nc2nccc3nc(sc23)-c2ccccc2Cl)nc(C)n1
Show InChI InChI=1S/C18H14ClN5S/c1-10-9-15(22-11(2)21-10)24-17-16-14(7-8-20-17)23-18(25-16)12-5-3-4-6-13(12)19/h3-9H,1-2H3,(H,20,21,22,24)
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8.60n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM153670
PNG
(US8999998, 283)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCCC2C)cc1NC(=O)c1cnn2cccnc12
Show InChI InChI=1/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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM153671
PNG
(US8999998, 300)
Show SMILES COc1ccc(Cl)cc1-c1nn(CC(=O)N2CCC=CC2)cc1NC(=O)c1cnn2cccnc12
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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50441557
PNG
(CHEMBL2436945)
Show SMILES CCc1nc(N[C@@H]2CCC[C@@H]2C#N)c2cc[nH]c(=O)c2n1
Show InChI InChI=1S/C15H17N5O/c1-2-12-19-13-10(6-7-17-15(13)21)14(20-12)18-11-5-3-4-9(11)8-16/h6-7,9,11H,2-5H2,1H3,(H,17,21)(H,18,19,20)/t9-,11-/m1/s1
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11n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


Bioorg Med Chem Lett 23: 5923-30 (2013)

More data for this
Ligand-Target Pair
JAK2/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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50032612
PNG
(CHEMBL3352835)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)n1
Show InChI InChI=1S/C22H22Cl2N6O2/c1-32-15-7-11-30(12-8-15)22-26-10-6-18(29-22)28-19-13-14(5-9-25-19)27-21(31)20-16(23)3-2-4-17(20)24/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H2,25,26,27,28,29,31)
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16n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


J Med Chem 57: 10176-91 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120130
PNG
(US8697708, 10)
Show SMILES OCC(=O)Nc1nccc2nc(sc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H9Cl2N3O2S/c15-7-2-1-3-8(16)11(7)14-18-9-4-5-17-13(12(9)22-14)19-10(21)6-20/h1-5,20H,6H2,(H,17,19,21)
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116312
PNG
(US8637526, 226)
Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1cc(Cl)ccc1C
Show InChI InChI=1S/C18H16ClN7O/c1-10-3-4-12(19)8-14(10)26-16(7-11(2)24-26)23-18(27)13-9-21-25-6-5-15(20)22-17(13)25/h3-9H,1-2H3,(H2,20,22)(H,23,27)
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32.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50032624
PNG
(CHEMBL3354186)
Show SMILES COC1CCN(CC1)c1nccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)n1
Show InChI InChI=1S/C20H22N8O/c1-29-15-3-6-28(7-4-15)20-21-5-2-18(27-20)26-19-9-17-13(10-22-19)8-16(25-17)14-11-23-24-12-14/h2,5,8-12,15,25H,3-4,6-7H2,1H3,(H,23,24)(H,21,22,26,27)
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36n/an/an/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


J Med Chem 57: 10176-91 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50399031
PNG
(CHEMBL2178257 | US8637526, 250)
Show SMILES Nc1ccn2ncc(C(=O)Nc3conc3-c3cccc(Cl)c3)c2n1
Show InChI InChI=1S/C16H11ClN6O2/c17-10-3-1-2-9(6-10)14-12(8-25-22-14)20-16(24)11-7-19-23-5-4-13(18)21-15(11)23/h1-8H,(H2,18,21)(H,20,24)
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36.1n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116316
PNG
(US8637526, 277)
Show SMILES Nc1ccn2ncc(C(=O)Nc3ccnn3-c3cc(Cl)ccc3Cl)c2n1
Show InChI InChI=1S/C16H11Cl2N7O/c17-9-1-2-11(18)12(7-9)25-14(3-5-20-25)23-16(26)10-8-21-24-6-4-13(19)22-15(10)24/h1-8H,(H2,19,22)(H,23,26)
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43.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116313
PNG
(US8637526, 231)
Show SMILES Cc1nc(c(NC(=O)c2cnn3ccc(N)nc23)s1)-c1ccccc1C
Show InChI InChI=1S/C18H16N6OS/c1-10-5-3-4-6-12(10)15-18(26-11(2)21-15)23-17(25)13-9-20-24-8-7-14(19)22-16(13)24/h3-9H,1-2H3,(H2,19,22)(H,23,25)
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43.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/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/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(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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47n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116318
PNG
(US8637526, 299)
Show SMILES O[C@H]1CCC(CC1)NC(=O)c1cnn2ccc(NC3CCc4ccccc34)nc12
Show InChI InChI=1S/C22H25N5O2/c28-16-8-6-15(7-9-16)24-22(29)18-13-23-27-12-11-20(26-21(18)27)25-19-10-5-14-3-1-2-4-17(14)19/h1-4,11-13,15-16,19,28H,5-10H2,(H,24,29)(H,25,26)/t15?,16-,19?
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50.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116314
PNG
(US8637526, 240)
Show SMILES Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(c4)C(F)(F)F)nc23)on1
Show InChI InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)
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62.4n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(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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65n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50391998
PNG
(CHEMBL2152302)
Show SMILES C(N1CCC[C@@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
Show InChI InChI=1S/C20H21N5/c1-2-5-15(6-3-1)12-24-10-4-7-16(13-24)25-14-23-18-11-22-20-17(19(18)25)8-9-21-20/h1-3,5-6,8-9,11,14,16H,4,7,10,12-13H2,(H,21,22)/t16-/m0/s1
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71n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM153676
PNG
(US8999998, 414)
Show SMILES CCOc1ccc(Cl)cc1-c1nn(cc1NC(=O)c1cnn2cccnc12)[C@H]1CCCC[C@@H]1O
Show InChI InChI=1/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-/s2
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76n/an/an/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50392001
PNG
(CHEMBL2152305)
Show SMILES C(N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
Show InChI InChI=1S/C20H21N5/c1-2-4-15(5-3-1)13-24-10-7-16(8-11-24)25-14-23-18-12-22-20-17(19(18)25)6-9-21-20/h1-6,9,12,14,16H,7-8,10-11,13H2,(H,21,22)
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85n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM120135
PNG
(US8697708, 25)
Show SMILES OC1CN(C1)c1cc(Nc2ncnc3nc(sc23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C18H13Cl2N7OS/c19-10-2-1-3-11(20)14(10)18-26-17-15(29-18)16(23-8-24-17)25-12-4-13(22-7-21-12)27-5-9(28)6-27/h1-4,7-9,28H,5-6H2,(H,21,22,23,24,25)
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87n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche AG

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50391999
PNG
(CHEMBL2152303)
Show SMILES C(N1CC[C@H](C1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
Show InChI InChI=1S/C19H19N5/c1-2-4-14(5-3-1)11-23-9-7-15(12-23)24-13-22-17-10-21-19-16(18(17)24)6-8-20-19/h1-6,8,10,13,15H,7,9,11-12H2,(H,20,21)/t15-/m1/s1
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89n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd.

Curated by ChEMBL


Assay Description
Inhibition of TYK2


J Med Chem 55: 5901-21 (2012)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM116319
PNG
(US8637526, 343)
Show SMILES Cc1cc(NC(=O)c2cnn3ccc(N)nc23)n(n1)-c1ccccc1C
Show InChI InChI=1S/C18H17N7O/c1-11-5-3-4-6-14(11)25-16(9-12(2)23-25)22-18(26)13-10-20-24-8-7-15(19)21-17(13)24/h3-10H,1-2H3,(H2,19,21)(H,22,26)
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97.6n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
To determine inhibition constants (Ki), compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM pu...


US Patent US8637526 (2014)

More data for this
Ligand-Target Pair
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