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PubMed code 22594690

Compile data set for download or QSAR
Found 80 hits of Enzyme Inhibition Constant Data   
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))
BDBM99619
PNG
(CHEMBL2062807 | US8501936, 120)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12
Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27)
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n/an/a 0.640n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 0.700n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99529
PNG
(CHEMBL2062802 | US8501936, 27)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26)
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n/an/a 0.800n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389186
PNG
(CHEMBL2062803 | US8501936, 4)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
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n/an/a 0.900n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99559
PNG
(CHEMBL2062808 | US8501936, 57)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)
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n/an/a 1.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99555
PNG
(CHEMBL2062810 | US8501936, 53)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29)
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n/an/a 1.27n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99611
PNG
(CHEMBL2062801 | US8501936, 112)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 1.30n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99560
PNG
(CHEMBL2062529 | US8501936, 58)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H35N7O2S/c1-33-17-19-35(20-18-33)24-12-15-34(16-13-24)25-6-3-5-23(21-25)30-29-31-28-27(7-4-14-36(28)32-29)22-8-10-26(11-9-22)39(2,37)38/h3-11,14,21,24H,12-13,15-20H2,1-2H3,(H,30,32)
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n/an/a 1.40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99542
PNG
(CHEMBL2062798 | US8501936, 40)
Show SMILES COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 1.40n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389176
PNG
(CHEMBL2062796)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-11-9-14(10-12-16)17-8-5-13-23-18(17)21-19(22-23)20-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99537
PNG
(CHEMBL2062804 | US8501936, 35)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 1.80n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99521
PNG
(CHEMBL2062799 | US8501936, 19)
Show SMILES COc1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-9-7-15(8-10-16)21-20-22-19-18(4-3-13-24(19)23-20)14-5-11-17(12-6-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389203
PNG
(CHEMBL2062813 | US8501936, 198)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1
Show InChI InChI=1S/C25H29N6OP/c1-29-14-16-30(17-15-29)21-7-4-6-20(18-21)26-25-27-24-23(8-5-13-31(24)28-25)19-9-11-22(12-10-19)33(2,3)32/h4-13,18H,14-17H2,1-3H3,(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99534
PNG
(CHEMBL2062805 | US8501936, 32)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-9-7-19(8-10-20)25-24-26-23-22(4-3-13-30(23)27-24)18-5-11-21(12-6-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99615
PNG
(CHEMBL2062806 | US8501936, 116)
Show SMILES CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-29-13-15-30(16-14-29)18-19-5-3-6-21(17-19)26-25-27-24-23(7-4-12-31(24)28-25)20-8-10-22(11-9-20)34(2,32)33/h3-12,17H,13-16,18H2,1-2H3,(H,26,28)
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n/an/a 3.10n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99567
PNG
(CHEMBL2062811 | US8501936, 65)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6/c1-31-12-14-32(15-13-31)20-5-2-4-19(16-20)28-23-29-22-21(6-3-11-33(22)30-23)17-7-9-18(10-8-17)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,30)
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n/an/a 4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99612
PNG
(CHEMBL2062800 | US8501936, 113)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-10-8-14(9-11-16)18-7-4-12-24-19(18)22-20(23-24)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 5.60n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389177
PNG
(CHEMBL2062795)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-10-5-7-14(13-16)17-11-6-12-23-18(17)21-19(22-23)20-15-8-3-2-4-9-15/h2-13H,1H3,(H,20,22)
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n/an/a 8n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389186
PNG
(CHEMBL2062803 | US8501936, 4)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
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n/an/a 17n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM99534
PNG
(CHEMBL2062805 | US8501936, 32)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-9-7-19(8-10-20)25-24-26-23-22(4-3-13-30(23)27-24)18-5-11-21(12-6-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 22n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389202
PNG
(CHEMBL2062812 | US8501936, 365)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H23FN6/c1-28-12-14-29(15-13-28)20-5-2-4-19(16-20)25-23-26-22-21(6-3-11-30(22)27-23)17-7-9-18(24)10-8-17/h2-11,16H,12-15H2,1H3,(H,25,27)
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n/an/a 26n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99534
PNG
(CHEMBL2062805 | US8501936, 32)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-9-7-19(8-10-20)25-24-26-23-22(4-3-13-30(23)27-24)18-5-11-21(12-6-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 31n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99529
PNG
(CHEMBL2062802 | US8501936, 27)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26)
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n/an/a 31n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99555
PNG
(CHEMBL2062810 | US8501936, 53)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29)
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n/an/a 38n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99619
PNG
(CHEMBL2062807 | US8501936, 120)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12
Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27)
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n/an/a 39n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 43n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389197
PNG
(CHEMBL2062792)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(N)nc12
Show InChI InChI=1S/C13H12N4O2S/c1-20(18,19)10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
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n/an/a 47n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 50n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99559
PNG
(CHEMBL2062808 | US8501936, 57)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)
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n/an/a 60n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389186
PNG
(CHEMBL2062803 | US8501936, 4)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-10-4-17(5-11-20)21-3-2-12-28-22(21)25-23(26-28)24-18-6-8-19(9-7-18)27-13-15-31-16-14-27/h2-12H,13-16H2,1H3,(H,24,26)
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n/an/a 61n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99537
PNG
(CHEMBL2062804 | US8501936, 35)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 61n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99521
PNG
(CHEMBL2062799 | US8501936, 19)
Show SMILES COc1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-9-7-15(8-10-16)21-20-22-19-18(4-3-13-24(19)23-20)14-5-11-17(12-6-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 63n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99534
PNG
(CHEMBL2062805 | US8501936, 32)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-9-7-19(8-10-20)25-24-26-23-22(4-3-13-30(23)27-24)18-5-11-21(12-6-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 64n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 72n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM99537
PNG
(CHEMBL2062804 | US8501936, 35)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 81n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99555
PNG
(CHEMBL2062810 | US8501936, 53)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C26H30N6O2S/c1-19(2)35(33,34)23-11-9-20(10-12-23)24-8-5-13-32-25(24)28-26(29-32)27-21-6-4-7-22(18-21)31-16-14-30(3)15-17-31/h4-13,18-19H,14-17H2,1-3H3,(H,27,29)
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n/an/a 85n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99542
PNG
(CHEMBL2062798 | US8501936, 40)
Show SMILES COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 89n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99559
PNG
(CHEMBL2062808 | US8501936, 57)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)
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n/an/a 89n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389176
PNG
(CHEMBL2062796)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-11-9-14(10-12-16)17-8-5-13-23-18(17)21-19(22-23)20-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,22)
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n/an/a 95n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99611
PNG
(CHEMBL2062801 | US8501936, 112)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 105n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99619
PNG
(CHEMBL2062807 | US8501936, 120)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(CN4CCS(=O)(=O)CC4)c3)nc12
Show InChI InChI=1S/C24H25N5O4S2/c1-34(30,31)21-9-7-19(8-10-21)22-6-3-11-29-23(22)26-24(27-29)25-20-5-2-4-18(16-20)17-28-12-14-35(32,33)15-13-28/h2-11,16H,12-15,17H2,1H3,(H,25,27)
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n/an/a 107n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99529
PNG
(CHEMBL2062802 | US8501936, 27)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCOCC3)nc12
Show InChI InChI=1S/C23H23N5O3S/c1-32(29,30)20-9-7-17(8-10-20)21-6-3-11-28-22(21)25-23(26-28)24-18-4-2-5-19(16-18)27-12-14-31-15-13-27/h2-11,16H,12-15H2,1H3,(H,24,26)
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n/an/a 110n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99611
PNG
(CHEMBL2062801 | US8501936, 112)
Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 118n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99560
PNG
(CHEMBL2062529 | US8501936, 58)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H35N7O2S/c1-33-17-19-35(20-18-33)24-12-15-34(16-13-24)25-6-3-5-23(21-25)30-29-31-28-27(7-4-14-36(28)32-29)22-8-10-26(11-9-22)39(2,37)38/h3-11,14,21,24H,12-13,15-20H2,1-2H3,(H,30,32)
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n/an/a 122n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389199
PNG
(CHEMBL2062794)
Show SMILES COc1ccccc1-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O/c1-24-17-12-6-5-10-15(17)16-11-7-13-23-18(16)21-19(22-23)20-14-8-3-2-4-9-14/h2-13H,1H3,(H,20,22)
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n/an/a 136n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99615
PNG
(CHEMBL2062806 | US8501936, 116)
Show SMILES CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-29-13-15-30(16-14-29)18-19-5-3-6-21(17-19)26-25-27-24-23(7-4-12-31(24)28-25)20-8-10-22(11-9-20)34(2,32)33/h3-12,17H,13-16,18H2,1-2H3,(H,26,28)
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n/an/a 146n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99537
PNG
(CHEMBL2062804 | US8501936, 35)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 150n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99542
PNG
(CHEMBL2062798 | US8501936, 40)
Show SMILES COc1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-6-3-5-15(13-16)21-20-22-19-18(7-4-12-24(19)23-20)14-8-10-17(11-9-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 176n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99560
PNG
(CHEMBL2062529 | US8501936, 58)
Show SMILES CN1CCN(CC1)C1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C29H35N7O2S/c1-33-17-19-35(20-18-33)24-12-15-34(16-13-24)25-6-3-5-23(21-25)30-29-31-28-27(7-4-14-36(28)32-29)22-8-10-26(11-9-22)39(2,37)38/h3-11,14,21,24H,12-13,15-20H2,1-2H3,(H,30,32)
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n/an/a 177n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389198
PNG
(CHEMBL2062793)
Show SMILES Nc1nc2c(cccn2n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c14-13(15,16)9-5-3-8(4-6-9)10-2-1-7-20-11(10)18-12(17)19-20/h1-7H,(H2,17,19)
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n/an/a 193n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM99559
PNG
(CHEMBL2062808 | US8501936, 57)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12
Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)
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n/an/a 200n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99521
PNG
(CHEMBL2062799 | US8501936, 19)
Show SMILES COc1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C20H18N4O3S/c1-27-16-9-7-15(8-10-16)21-20-22-19-18(4-3-13-24(19)23-20)14-5-11-17(12-6-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 209n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99567
PNG
(CHEMBL2062811 | US8501936, 65)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6/c1-31-12-14-32(15-13-31)20-5-2-4-19(16-20)28-23-29-22-21(6-3-11-33(22)30-23)17-7-9-18(10-8-17)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,30)
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n/an/a 218n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389203
PNG
(CHEMBL2062813 | US8501936, 198)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1
Show InChI InChI=1S/C25H29N6OP/c1-29-14-16-30(17-15-29)21-7-4-6-20(18-21)26-25-27-24-23(8-5-13-31(24)28-25)19-9-11-22(12-10-19)33(2,3)32/h4-13,18H,14-17H2,1-3H3,(H,26,28)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389203
PNG
(CHEMBL2062813 | US8501936, 198)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)P(C)(C)=O)c1
Show InChI InChI=1S/C25H29N6OP/c1-29-14-16-30(17-15-29)21-7-4-6-20(18-21)26-25-27-24-23(8-5-13-31(24)28-25)19-9-11-22(12-10-19)33(2,3)32/h4-13,18H,14-17H2,1-3H3,(H,26,28)
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Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99615
PNG
(CHEMBL2062806 | US8501936, 116)
Show SMILES CN1CCN(Cc2cccc(Nc3nc4c(cccn4n3)-c3ccc(cc3)S(C)(=O)=O)c2)CC1
Show InChI InChI=1S/C25H28N6O2S/c1-29-13-15-30(16-14-29)18-19-5-3-6-21(17-19)26-25-27-24-23(7-4-12-31(24)28-25)20-8-10-22(11-9-20)34(2,32)33/h3-12,17H,13-16,18H2,1-2H3,(H,26,28)
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n/an/a 345n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389176
PNG
(CHEMBL2062796)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-11-9-14(10-12-16)17-8-5-13-23-18(17)21-19(22-23)20-15-6-3-2-4-7-15/h2-13H,1H3,(H,20,22)
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n/an/a 385n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389177
PNG
(CHEMBL2062795)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-10-5-7-14(13-16)17-11-6-12-23-18(17)21-19(22-23)20-15-8-3-2-4-9-15/h2-13H,1H3,(H,20,22)
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n/an/a 475n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99567
PNG
(CHEMBL2062811 | US8501936, 65)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)C(F)(F)F)c1
Show InChI InChI=1S/C24H23F3N6/c1-31-12-14-32(15-13-31)20-5-2-4-19(16-20)28-23-29-22-21(6-3-11-33(22)30-23)17-7-9-18(10-8-17)24(25,26)27/h2-11,16H,12-15H2,1H3,(H,28,30)
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n/an/a 476n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99612
PNG
(CHEMBL2062800 | US8501936, 113)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-10-8-14(9-11-16)18-7-4-12-24-19(18)22-20(23-24)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 490n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389202
PNG
(CHEMBL2062812 | US8501936, 365)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H23FN6/c1-28-12-14-29(15-13-28)20-5-2-4-19(16-20)25-23-26-22-21(6-3-11-30(22)27-23)17-7-9-18(24)10-8-17/h2-11,16H,12-15H2,1H3,(H,25,27)
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n/an/a 547n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99612
PNG
(CHEMBL2062800 | US8501936, 113)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)S(C)(=O)=O)nc12
Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-10-8-14(9-11-16)18-7-4-12-24-19(18)22-20(23-24)21-15-5-3-6-17(13-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)
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n/an/a 598n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389199
PNG
(CHEMBL2062794)
Show SMILES COc1ccccc1-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O/c1-24-17-12-6-5-10-15(17)16-11-7-13-23-18(16)21-19(22-23)20-14-8-3-2-4-9-14/h2-13H,1H3,(H,20,22)
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n/an/a 834n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389177
PNG
(CHEMBL2062795)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccn2nc(Nc3ccccc3)nc12
Show InChI InChI=1S/C19H16N4O2S/c1-26(24,25)16-10-5-7-14(13-16)17-11-6-12-23-18(17)21-19(22-23)20-15-8-3-2-4-9-15/h2-13H,1H3,(H,20,22)
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n/an/a 1.07E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389195
PNG
(CHEMBL2062790)
Show SMILES Nc1nc2c(cccn2n1)-c1ccncc1
Show InChI InChI=1S/C11H9N5/c12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8/h1-7H,(H2,12,15)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99527
PNG
(CHEMBL2062797 | US8501936, 25)
Show SMILES COc1ccccc1Nc1nc2c(cccn2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18N4O3S/c1-27-18-8-4-3-7-17(18)21-20-22-19-16(6-5-13-24(19)23-20)14-9-11-15(12-10-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389197
PNG
(CHEMBL2062792)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(N)nc12
Show InChI InChI=1S/C13H12N4O2S/c1-20(18,19)10-6-4-9(5-7-10)11-3-2-8-17-12(11)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389192
PNG
(CHEMBL2062787)
Show SMILES COc1ccccc1-c1cccn2nc(N)nc12
Show InChI InChI=1S/C13H12N4O/c1-18-11-7-3-2-5-9(11)10-6-4-8-17-12(10)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
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n/an/a 2.13E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389196
PNG
(CHEMBL2062791)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccn2nc(N)nc12
Show InChI InChI=1S/C13H12N4O2S/c1-20(18,19)10-5-2-4-9(8-10)11-6-3-7-17-12(11)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389194
PNG
(CHEMBL2062789)
Show SMILES COc1ccc(cn1)-c1cccn2nc(N)nc12
Show InChI InChI=1S/C12H11N5O/c1-18-10-5-4-8(7-14-10)9-3-2-6-17-11(9)15-12(13)16-17/h2-7H,1H3,(H2,13,16)
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n/an/a 2.87E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389198
PNG
(CHEMBL2062793)
Show SMILES Nc1nc2c(cccn2n1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c14-13(15,16)9-5-3-8(4-6-9)10-2-1-7-20-11(10)18-12(17)19-20/h1-7H,(H2,17,19)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389192
PNG
(CHEMBL2062787)
Show SMILES COc1ccccc1-c1cccn2nc(N)nc12
Show InChI InChI=1S/C13H12N4O/c1-18-11-7-3-2-5-9(11)10-6-4-8-17-12(10)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
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n/an/a>3.00E+3n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM99527
PNG
(CHEMBL2062797 | US8501936, 25)
Show SMILES COc1ccccc1Nc1nc2c(cccn2n1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H18N4O3S/c1-27-18-8-4-3-7-17(18)21-20-22-19-16(6-5-13-24(19)23-20)14-9-11-15(12-10-14)28(2,25)26/h3-13H,1-2H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50389193
PNG
(CHEMBL2062788)
Show SMILES Nc1nc2c(cccn2n1)-c1cccnc1
Show InChI InChI=1S/C11H9N5/c12-11-14-10-9(4-2-6-16(10)15-11)8-3-1-5-13-7-8/h1-7H,(H2,12,15)
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389193
PNG
(CHEMBL2062788)
Show SMILES Nc1nc2c(cccn2n1)-c1cccnc1
Show InChI InChI=1S/C11H9N5/c12-11-14-10-9(4-2-6-16(10)15-11)8-3-1-5-13-7-8/h1-7H,(H2,12,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389194
PNG
(CHEMBL2062789)
Show SMILES COc1ccc(cn1)-c1cccn2nc(N)nc12
Show InChI InChI=1S/C12H11N5O/c1-18-10-5-4-8(7-14-10)9-3-2-6-17-11(9)15-12(13)16-17/h2-7H,1H3,(H2,13,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389195
PNG
(CHEMBL2062790)
Show SMILES Nc1nc2c(cccn2n1)-c1ccncc1
Show InChI InChI=1S/C11H9N5/c12-11-14-10-9(2-1-7-16(10)15-11)8-3-5-13-6-4-8/h1-7H,(H2,12,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50389196
PNG
(CHEMBL2062791)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1cccn2nc(N)nc12
Show InChI InChI=1S/C13H12N4O2S/c1-20(18,19)10-5-2-4-9(8-10)11-6-3-7-17-12(11)15-13(14)16-17/h2-8H,1H3,(H2,14,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM99537
PNG
(CHEMBL2062804 | US8501936, 35)
Show SMILES CN1CCN(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM99563
PNG
(CHEMBL2062809 | US8501936, 61)
Show SMILES CN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1
Show InChI InChI=1S/C25H27N5O2S/c1-29-15-12-18(13-16-29)20-5-3-6-21(17-20)26-25-27-24-23(7-4-14-30(24)28-25)19-8-10-22(11-9-19)33(2,31)32/h3-11,14,17-18H,12-13,15-16H2,1-2H3,(H,26,28)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


J Med Chem 55: 5243-54 (2012)


Article DOI: 10.1021/jm300248q
BindingDB Entry DOI: 10.7270/Q2KH0PDQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%