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Compile Data Set for Download or QSAR

Found 14 hits from Eberhard-Karls-University Tuebingen   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153159
PNG
(BDBM153160 | US8993756, 4-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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n/an/a 0.150n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged JAK3 (781 to 1124 residues) expressed in baculovirus expression system using FITC-KGGEEEEYFELVK...


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM209866
PNG
(PF-06651600 | US9617258, Example 5)
Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12
Show InChI InChI=1/C15H19N5O/c1-3-13(21)20-8-11(5-4-10(20)2)19-15-12-6-7-16-14(12)17-9-18-15/h3,6-7,9-11H,1,4-5,8H2,2H3,(H2,16,17,18,19)/t10-,11+/s2
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n/an/a 0.350n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50450984
PNG
(CHEMBL4209692)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C=C)ccc3F)c12
Show InChI InChI=1S/C18H15FN4O3/c1-3-14(24)23-10-5-6-13(19)11(7-10)16-15-12(18(25)26-4-2)8-20-17(15)22-9-21-16/h3,5-9H,1,4H2,2H3,(H,23,24)(H,20,21,22)
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n/an/a 0.430n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50450982
PNG
(CHEMBL4209458)
Show SMILES CC(C)(C)Nc1cncc(n1)-n1cnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C18H20N6O/c1-5-17(25)21-12-6-7-13-14(8-12)24(11-20-13)16-10-19-9-15(22-16)23-18(2,3)4/h5-11H,1H2,2-4H3,(H,21,25)(H,22,23)
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n/an/a 7n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant human N-terminal His-tagged JAK3 catalytic domain (795 to 1124 residues) expressed in sf21 cells using bioti...


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50450983
PNG
(CHEMBL4204801)
Show SMILES NC(=O)C(=C\c1cccc(c1)-c1cccc2[nH]ncc12)\C#N
Show InChI InChI=1S/C17H12N4O/c18-9-13(17(19)22)8-11-3-1-4-12(7-11)14-5-2-6-16-15(14)10-20-21-16/h1-8,10H,(H2,19,22)(H,20,21)/b13-8+
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n/an/a 22n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of BLK (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50121209
PNG
(CHEMBL3622376)
Show SMILES C(C1CO1)n1cc(nn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1/C11H10N6O/c1-2-12-11-8(1)10(13-6-14-11)9-4-17(16-15-9)3-7-5-18-7/h1-2,4,6-7H,3,5H2,(H,12,13,14)
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n/an/a 35n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50450982
PNG
(CHEMBL4209458)
Show SMILES CC(C)(C)Nc1cncc(n1)-n1cnc2ccc(NC(=O)C=C)cc12
Show InChI InChI=1S/C18H20N6O/c1-5-17(25)21-12-6-7-13-14(8-12)24(11-20-13)16-10-19-9-15(22-16)23-18(2,3)4/h5-11H,1H2,2-4H3,(H,21,25)(H,22,23)
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n/an/a 40n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in sf21 cells using biotinylated peptide s...


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50450983
PNG
(CHEMBL4204801)
Show SMILES NC(=O)C(=C\c1cccc(c1)-c1cccc2[nH]ncc12)\C#N
Show InChI InChI=1S/C17H12N4O/c18-9-13(17(19)22)8-11-3-1-4-12(7-11)14-5-2-6-16-15(14)10-20-21-16/h1-8,10H,(H2,19,22)(H,20,21)/b13-8+
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n/an/a 44n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ERBB4 (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50450983
PNG
(CHEMBL4204801)
Show SMILES NC(=O)C(=C\c1cccc(c1)-c1cccc2[nH]ncc12)\C#N
Show InChI InChI=1S/C17H12N4O/c18-9-13(17(19)22)8-11-3-1-4-12(7-11)14-5-2-6-16-15(14)10-20-21-16/h1-8,10H,(H2,19,22)(H,20,21)/b13-8+
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n/an/a 49n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1/JAK3


(Mus musculus)
BDBM153159
PNG
(BDBM153160 | US8993756, 4-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK3/JAK1 in mouse CTLL-2 cells assessed as reduction in IL2-stimulated STAT5 phosphorylation


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM81346
PNG
(CHEMBL538798 | M9440 (Me-3,4-dephostatin))
Show SMILES CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1
Show InChI InChI=1S/C23H25NO/c1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h3-13,16,18H,14-15,17H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by ELISA


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50450983
PNG
(CHEMBL4204801)
Show SMILES NC(=O)C(=C\c1cccc(c1)-c1cccc2[nH]ncc12)\C#N
Show InChI InChI=1S/C17H12N4O/c18-9-13(17(19)22)8-11-3-1-4-12(7-11)14-5-2-6-16-15(14)10-20-21-16/h1-8,10H,(H2,19,22)(H,20,21)/b13-8+
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n/an/a 220n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of ITK (unknown origin)


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM153159
PNG
(BDBM153160 | US8993756, 4-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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n/an/a 280n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in human PBMC CD3+/CD8+ T cells assessed as reduction in IL7-stimulated STAT5 phosphorylation


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM153159
PNG
(BDBM153160 | US8993756, 4-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Eberhard-Karls-University Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in human whole blood CD3+/CD4+ T cells assessed as reduction in IL7-stimulated STAT5 phosphorylation


Bioorg Med Chem Lett 27: 4229-4237 (2017)

More data for this
Ligand-Target Pair