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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following similar (0.9) ligands are found in BindingDB

Wt: 352.3 sim=0.91
BDBM50426603
Wt: 378.4 sim=0.89
BDBM50426607
Wt: 341.4 sim=0.96
BDBM50426608
Wt: 313.3 sim=0.98
BDBM50426609
Wt: 327.3 sim=0.98
BDBM50426610
Wt: 341.4 sim=1.00
BDBM50426611
Wt: 301.3 sim=0.96
BDBM50426612
Wt: 378.4 sim=0.89
BDBM50426599
Wt: 364.4 sim=0.90
BDBM50426600
Wt: 380.4 sim=0.90
BDBM50426601
Wt: 338.3 sim=0.92
BDBM50426602

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 48 hits in this display   
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
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426607
PNG
(CHEMBL2325897)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16+/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426603
PNG
(CHEMBL2325912)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N
Show InChI InChI=1S/C18H20N6O2/c1-10(18(26)24-5-4-11(6-19)9-24)22-17(25)13-7-20-16-15(13)23-14(8-21-16)12-2-3-12/h7-8,10-12H,2-5,9H2,1H3,(H,20,21)(H,22,25)/t10-,11?/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426603
PNG
(CHEMBL2325912)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N
Show InChI InChI=1S/C18H20N6O2/c1-10(18(26)24-5-4-11(6-19)9-24)22-17(25)13-7-20-16-15(13)23-14(8-21-16)12-2-3-12/h7-8,10-12H,2-5,9H2,1H3,(H,20,21)(H,22,25)/t10-,11?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of IL2-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426603
PNG
(CHEMBL2325912)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N
Show InChI InChI=1S/C18H20N6O2/c1-10(18(26)24-5-4-11(6-19)9-24)22-17(25)13-7-20-16-15(13)23-14(8-21-16)12-2-3-12/h7-8,10-12H,2-5,9H2,1H3,(H,20,21)(H,22,25)/t10-,11?/m1/s1
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n/an/a 45n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVKD as substrate incubated for 10 mins prior to substrate addition meas...


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 47n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426610
PNG
(CHEMBL2325910)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C17H21N5O2/c1-10(17(24)22-6-2-3-7-22)20-16(23)12-8-18-15-14(12)21-13(9-19-15)11-4-5-11/h8-11H,2-7H2,1H3,(H,18,19)(H,20,23)/t10-/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426611
PNG
(CHEMBL2325909)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426608
PNG
(CHEMBL2325913)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C)C1
Show InChI InChI=1S/C18H23N5O2/c1-10-5-6-23(9-10)18(25)11(2)21-17(24)13-7-19-16-15(13)22-14(8-20-16)12-3-4-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,24)/t10?,11-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426612
PNG
(CHEMBL2325908)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N(C)C
Show InChI InChI=1S/C15H19N5O2/c1-8(15(22)20(2)3)18-14(21)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)/t8-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426610
PNG
(CHEMBL2325910)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C17H21N5O2/c1-10(17(24)22-6-2-3-7-22)20-16(23)12-8-18-15-14(12)21-13(9-19-15)11-4-5-11/h8-11H,2-7H2,1H3,(H,18,19)(H,20,23)/t10-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426611
PNG
(CHEMBL2325909)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426608
PNG
(CHEMBL2325913)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C)C1
Show InChI InChI=1S/C18H23N5O2/c1-10-5-6-23(9-10)18(25)11(2)21-17(24)13-7-19-16-15(13)22-14(8-20-16)12-3-4-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,24)/t10?,11-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426609
PNG
(CHEMBL2325911)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC1
Show InChI InChI=1S/C16H19N5O2/c1-9(16(23)21-5-2-6-21)19-15(22)11-7-17-14-13(11)20-12(8-18-14)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18)(H,19,22)/t9-/m1/s1
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n/an/a 148n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 188n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric ...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426600
PNG
(CHEMBL2325896)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC(C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C19H20N6O2/c20-5-10-8-25(9-10)19(27)15(12-3-4-12)24-18(26)13-6-21-17-16(13)23-14(7-22-17)11-1-2-11/h6-7,10-12,15H,1-4,8-9H2,(H,21,22)(H,24,26)/t15-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric ...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426612
PNG
(CHEMBL2325908)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N(C)C
Show InChI InChI=1S/C15H19N5O2/c1-8(15(22)20(2)3)18-14(21)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)/t8-/m1/s1
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n/an/a 231n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426608
PNG
(CHEMBL2325913)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C)C1
Show InChI InChI=1S/C18H23N5O2/c1-10-5-6-23(9-10)18(25)11(2)21-17(24)13-7-19-16-15(13)22-14(8-20-16)12-3-4-12/h7-8,10-12H,3-6,9H2,1-2H3,(H,19,20)(H,21,24)/t10?,11-/m1/s1
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n/an/a 272n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK2/JAK1


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of IFNgamma-stimulated STAT1 phosphorylation


Bioorg Med Chem Lett 23: 2793-800 (2013)

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


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 321n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric ...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426609
PNG
(CHEMBL2325911)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC1
Show InChI InChI=1S/C16H19N5O2/c1-9(16(23)21-5-2-6-21)19-15(22)11-7-17-14-13(11)20-12(8-18-14)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18)(H,19,22)/t9-/m1/s1
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n/an/a 345n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426611
PNG
(CHEMBL2325909)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1
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n/an/a 361n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426610
PNG
(CHEMBL2325910)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCCC1
Show InChI InChI=1S/C17H21N5O2/c1-10(17(24)22-6-2-3-7-22)20-16(23)12-8-18-15-14(12)21-13(9-19-15)11-4-5-11/h8-11H,2-7H2,1H3,(H,18,19)(H,20,23)/t10-/m1/s1
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n/an/a 431n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426612
PNG
(CHEMBL2325908)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N(C)C
Show InChI InChI=1S/C15H19N5O2/c1-8(15(22)20(2)3)18-14(21)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)(H,18,21)/t8-/m1/s1
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n/an/a 637n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Mus musculus)
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 850n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric a...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426609
PNG
(CHEMBL2325911)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC1
Show InChI InChI=1S/C16H19N5O2/c1-9(16(23)21-5-2-6-21)19-15(22)11-7-17-14-13(11)20-12(8-18-14)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18)(H,19,22)/t9-/m1/s1
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n/an/a 871n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


J Med Chem 56: 345-56 (2013)

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


(Mus musculus)
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in C57BL/6 mouse whole blood assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric a...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426603
PNG
(CHEMBL2325912)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N
Show InChI InChI=1S/C18H20N6O2/c1-10(18(26)24-5-4-11(6-19)9-24)22-17(25)13-7-20-16-15(13)23-14(8-21-16)12-2-3-12/h7-8,10-12H,2-5,9H2,1H3,(H,20,21)(H,22,25)/t10-,11?/m1/s1
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n/an/a 2.03E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric ...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CSF-stimulated STAT5a phosphorylation after 30 mins by flow cytometric ...


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/an/a 12n/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Binding affinity to JAK1 (unknown origin)


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/an/a 0.120n/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Binding affinity to JAK3 (unknown origin)


J Med Chem 56: 345-56 (2013)

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


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/an/a 0.180n/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Binding affinity to JAK2 (unknown origin)


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair
JAK2/TYK2


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/an/a 16n/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Binding affinity to TYK2 (unknown origin)


J Med Chem 56: 345-56 (2013)

More data for this
Ligand-Target Pair