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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50043287   
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))
BDBM99582
PNG
(US8501936, 81)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(13-7-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438673
PNG
(CHEMBL2414535)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOCC3)nc12
Show InChI InChI=1S/C24H23N5O4S/c1-34(31,32)20-10-6-17(7-11-20)21-3-2-12-29-22(21)26-24(27-29)25-19-8-4-18(5-9-19)23(30)28-13-15-33-16-14-28/h2-12H,13-16H2,1H3,(H,25,27)
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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438666
PNG
(CHEMBL2414542)
Show SMILES CC(C)n1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C19H18N6O2/c1-12(2)25-11-14(10-20-25)16-4-3-9-24-17(16)22-19(23-24)21-15-7-5-13(6-8-15)18(26)27/h3-12H,1-2H3,(H,21,23)(H,26,27)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438667
PNG
(CHEMBL2414541)
Show SMILES OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCCC2)cc1
Show InChI InChI=1S/C22H22N6O2/c29-21(30)15-8-10-17(11-9-15)24-22-25-20-19(7-4-12-27(20)26-22)16-13-23-28(14-16)18-5-2-1-3-6-18/h4,7-14,18H,1-3,5-6H2,(H,24,26)(H,29,30)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438670
PNG
(CHEMBL2414538)
Show SMILES CC(C)Cn1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C20H20N6O2/c1-13(2)11-25-12-15(10-21-25)17-4-3-9-26-18(17)23-20(24-26)22-16-7-5-14(6-8-16)19(27)28/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,27,28)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438668
PNG
(CHEMBL2414540)
Show SMILES OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCC2)cc1
Show InChI InChI=1S/C21H20N6O2/c28-20(29)14-7-9-16(10-8-14)23-21-24-19-18(6-3-11-26(19)25-21)15-12-22-27(13-15)17-4-1-2-5-17/h3,6-13,17H,1-2,4-5H2,(H,23,25)(H,28,29)
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0.600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438674
PNG
(CHEMBL2414534)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H21N5O3S/c1-26(2)21(28)16-6-10-17(11-7-16)23-22-24-20-19(5-4-14-27(20)25-22)15-8-12-18(13-9-15)31(3,29)30/h4-14H,1-3H3,(H,23,25)
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0.600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438685
PNG
(CHEMBL2414549)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3ccnc(CO)c3)nn12
Show InChI InChI=1S/C21H21N5O/c1-14(2)15-5-3-6-16(11-15)19-7-4-8-20-24-21(25-26(19)20)23-17-9-10-22-18(12-17)13-27/h3-12,14,27H,13H2,1-2H3,(H,22,23,25)
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0.600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438688
PNG
(CHEMBL2414544)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27)
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0.600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438671
PNG
(CHEMBL2414537)
Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCOCC3)nc12
Show InChI InChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25)
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438687
PNG
(CHEMBL2414546)
Show SMILES COc1cccc(c1)-c1cccc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)25-24-26-23-8-4-7-22(30(23)27-24)18-5-3-6-21(17-18)31-2/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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0.900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438669
PNG
(CHEMBL2414539)
Show SMILES CC(C)c1cc(ccn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C21H19N5O2/c1-13(2)18-12-15(9-10-22-18)17-4-3-11-26-19(17)24-21(25-26)23-16-7-5-14(6-8-16)20(27)28/h3-13H,1-2H3,(H,23,25)(H,27,28)
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438686
PNG
(CHEMBL2414548)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C21H21N5/c1-14(2)16-6-4-7-17(13-16)19-8-5-9-20-24-21(25-26(19)20)23-18-10-11-22-15(3)12-18/h4-14H,1-3H3,(H,22,23,25)
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1.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438672
PNG
(CHEMBL2414536)
Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)[C@H](C)CO)nc12 |r|
Show InChI InChI=1S/C19H20N6O2/c1-13(12-26)25-11-15(10-20-25)21-19-22-18-17(4-3-9-24(18)23-19)14-5-7-16(27-2)8-6-14/h3-11,13,26H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438680
PNG
(CHEMBL2414554)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(cc3)C(O)=O)nn12
Show InChI InChI=1S/C20H16N4O3/c1-27-16-11-7-13(8-12-16)17-3-2-4-18-22-20(23-24(17)18)21-15-9-5-14(6-10-15)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
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1.60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438675
PNG
(CHEMBL2414533)
Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C20H16N4O3/c1-27-16-10-6-13(7-11-16)17-3-2-12-24-18(17)22-20(23-24)21-15-8-4-14(5-9-15)19(25)26/h2-12H,1H3,(H,21,23)(H,25,26)
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1.70n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99583
PNG
(US8501936, 82)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)25-24-26-23-8-4-7-22(30(23)27-24)18-5-3-6-21(17-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438676
PNG
(CHEMBL2414532)
Show SMILES CC(C)Cn1cc(cn1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C19H21N7/c1-13(2)11-25-12-15(10-21-25)17-5-4-6-18-23-19(24-26(17)18)22-16-7-8-20-14(3)9-16/h4-10,12-13H,11H2,1-3H3,(H,20,22,24)
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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438677
PNG
(CHEMBL2414531)
Show SMILES CCn1cc(cn1)-c1cccc2nc(Nc3ccnc(CO)c3)nn12
Show InChI InChI=1S/C17H17N7O/c1-2-23-10-12(9-19-23)15-4-3-5-16-21-17(22-24(15)16)20-13-6-7-18-14(8-13)11-25/h3-10,25H,2,11H2,1H3,(H,18,20,22)
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3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438678
PNG
(CHEMBL2414556)
Show SMILES CCn1cc(cn1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C17H17N7/c1-3-23-11-13(10-19-23)15-5-4-6-16-21-17(22-24(15)16)20-14-7-8-18-12(2)9-14/h4-11H,3H2,1-2H3,(H,18,20,22)
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4.80n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438681
PNG
(CHEMBL2414553)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C19H17N5O/c1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h3-12H,1-2H3,(H,20,21,23)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438693
PNG
(CHEMBL2414560)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C19H20N4O/c1-12(2)14-5-3-6-15(11-14)16-7-4-8-17-20-19(22-23(16)17)21-18(24)13-9-10-13/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,24)
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8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438682
PNG
(CHEMBL2414552)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3cccc(C)c3)nn12
Show InChI InChI=1S/C22H22N4/c1-15(2)17-8-5-9-18(14-17)20-11-6-12-21-24-22(25-26(20)21)23-19-10-4-7-16(3)13-19/h4-15H,1-3H3,(H,23,25)
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9.10n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438691
PNG
(CHEMBL2414562)
Show SMILES COC(=O)Nc1nc2cccc(-c3cccc(c3)C(C)C)n2n1
Show InChI InChI=1S/C17H18N4O2/c1-11(2)12-6-4-7-13(10-12)14-8-5-9-15-18-16(20-21(14)15)19-17(22)23-3/h4-11H,1-3H3,(H,19,20,22)
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438679
PNG
(CHEMBL2414555)
Show SMILES Cc1cc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)ccn1
Show InChI InChI=1S/C19H17N5O2S/c1-13-11-15(9-10-20-13)21-19-22-18-8-4-7-17(24(18)23-19)14-5-3-6-16(12-14)27(2,25)26/h3-12H,1-2H3,(H,20,21,23)
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19n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438684
PNG
(CHEMBL2414550)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3cc(C)ccn3)nn12
Show InChI InChI=1S/C21H21N5/c1-14(2)16-6-4-7-17(13-16)18-8-5-9-20-24-21(25-26(18)20)23-19-12-15(3)10-11-22-19/h4-14H,1-3H3,(H,22,23,25)
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41n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438695
PNG
(CHEMBL2414558)
Show SMILES Clc1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H13ClN4O/c17-12-8-6-10(7-9-12)13-2-1-3-14-18-16(20-21(13)14)19-15(22)11-4-5-11/h1-3,6-9,11H,4-5H2,(H,19,20,22)
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59n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438696
PNG
(CHEMBL2414557)
Show SMILES Clc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C16H13ClN4O/c17-12-4-1-3-11(9-12)13-5-2-6-14-18-16(20-21(13)14)19-15(22)10-7-8-10/h1-6,9-10H,7-8H2,(H,19,20,22)
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60n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438683
PNG
(CHEMBL2414551)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3cccc(C)n3)nn12
Show InChI InChI=1S/C21H21N5/c1-14(2)16-8-5-9-17(13-16)18-10-6-12-20-24-21(25-26(18)20)23-19-11-4-7-15(3)22-19/h4-14H,1-3H3,(H,22,23,25)
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71n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438694
PNG
(CHEMBL2414559)
Show SMILES FC(F)(F)c1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H13F3N4O/c18-17(19,20)12-4-1-3-11(9-12)13-5-2-6-14-21-16(23-24(13)14)22-15(25)10-7-8-10/h1-6,9-10H,7-8H2,(H,22,23,25)
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83n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438692
PNG
(CHEMBL2414561)
Show SMILES COc1cccc(c1)-c1cccc2nc(NC(=O)C3CC3)nn12
Show InChI InChI=1S/C17H16N4O2/c1-23-13-5-2-4-12(10-13)14-6-3-7-15-18-17(20-21(14)15)19-16(22)11-8-9-11/h2-7,10-11H,8-9H2,1H3,(H,19,20,22)
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207n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438690
PNG
(CHEMBL2414563)
Show SMILES CCC(=O)Nc1nc2cccc(-c3cccc(c3)C(C)C)n2n1
Show InChI InChI=1S/C18H20N4O/c1-4-17(23)20-18-19-16-10-6-9-15(22(16)21-18)14-8-5-7-13(11-14)12(2)3/h5-12H,4H2,1-3H3,(H,20,21,23)
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2.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438689
PNG
(CHEMBL2414543)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(NC(=O)c3ccc(F)cc3)nn12
Show InChI InChI=1S/C22H19FN4O/c1-14(2)16-5-3-6-17(13-16)19-7-4-8-20-24-22(26-27(19)20)25-21(28)15-9-11-18(23)12-10-15/h3-14H,1-2H3,(H,25,26,28)
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2.20E+3n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438688
PNG
(CHEMBL2414544)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(31-2)13-7-18/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 22n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438668
PNG
(CHEMBL2414540)
Show SMILES OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCC2)cc1
Show InChI InChI=1S/C21H20N6O2/c28-20(29)14-7-9-16(10-8-14)23-21-24-19-18(6-3-11-26(19)25-21)15-12-22-27(13-15)17-4-1-2-5-17/h3,6-13,17H,1-2,4-5H2,(H,23,25)(H,28,29)
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n/an/a 24n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438667
PNG
(CHEMBL2414541)
Show SMILES OC(=O)c1ccc(Nc2nc3c(cccn3n2)-c2cnn(c2)C2CCCCC2)cc1
Show InChI InChI=1S/C22H22N6O2/c29-21(30)15-8-10-17(11-9-15)24-22-25-20-19(7-4-12-27(20)26-22)16-13-23-28(14-16)18-5-2-1-3-6-18/h4,7-14,18H,1-3,5-6H2,(H,24,26)(H,29,30)
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n/an/a 31n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99582
PNG
(US8501936, 81)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(cc4)S(C)(=O)=O)n3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-14-16-29(17-15-28)20-10-8-19(9-11-20)25-24-26-23-5-3-4-22(30(23)27-24)18-6-12-21(13-7-18)33(2,31)32/h3-13H,14-17H2,1-2H3,(H,25,27)
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n/an/a 33n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438673
PNG
(CHEMBL2414535)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCOCC3)nc12
Show InChI InChI=1S/C24H23N5O4S/c1-34(31,32)20-10-6-17(7-11-20)21-3-2-12-29-22(21)26-24(27-29)25-19-8-4-18(5-9-19)23(30)28-13-15-33-16-14-28/h2-12H,13-16H2,1H3,(H,25,27)
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n/an/a 53n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438687
PNG
(CHEMBL2414546)
Show SMILES COc1cccc(c1)-c1cccc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nn12
Show InChI InChI=1S/C24H26N6O/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)25-24-26-23-8-4-7-22(30(23)27-24)18-5-3-6-21(17-18)31-2/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 54n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM99583
PNG
(US8501936, 82)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4cccc(c4)S(C)(=O)=O)n3n2)cc1
Show InChI InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-11-9-19(10-12-20)25-24-26-23-8-4-7-22(30(23)27-24)18-5-3-6-21(17-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
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n/an/a 73n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438671
PNG
(CHEMBL2414537)
Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)C3CCOCC3)nc12
Show InChI InChI=1S/C21H22N6O2/c1-28-18-6-4-15(5-7-18)19-3-2-10-26-20(19)24-21(25-26)23-16-13-22-27(14-16)17-8-11-29-12-9-17/h2-7,10,13-14,17H,8-9,11-12H2,1H3,(H,23,25)
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n/an/a 87n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438672
PNG
(CHEMBL2414536)
Show SMILES COc1ccc(cc1)-c1cccn2nc(Nc3cnn(c3)[C@H](C)CO)nc12 |r|
Show InChI InChI=1S/C19H20N6O2/c1-13(12-26)25-11-15(10-20-25)21-19-22-18-17(4-3-9-24(18)23-19)14-5-7-16(27-2)8-6-14/h3-11,13,26H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
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n/an/a 89n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438677
PNG
(CHEMBL2414531)
Show SMILES CCn1cc(cn1)-c1cccc2nc(Nc3ccnc(CO)c3)nn12
Show InChI InChI=1S/C17H17N7O/c1-2-23-10-12(9-19-23)15-4-3-5-16-21-17(22-24(15)16)20-13-6-7-18-14(8-13)11-25/h3-10,25H,2,11H2,1H3,(H,18,20,22)
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n/an/a 115n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438674
PNG
(CHEMBL2414534)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C22H21N5O3S/c1-26(2)21(28)16-6-10-17(11-7-16)23-22-24-20-19(5-4-14-27(20)25-22)15-8-12-18(13-9-15)31(3,29)30/h4-14H,1-3H3,(H,23,25)
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n/an/a 117n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438685
PNG
(CHEMBL2414549)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3ccnc(CO)c3)nn12
Show InChI InChI=1S/C21H21N5O/c1-14(2)15-5-3-6-16(11-15)19-7-4-8-20-24-21(25-26(19)20)23-17-9-10-22-18(12-17)13-27/h3-12,14,27H,13H2,1-2H3,(H,22,23,25)
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n/an/a 117n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438666
PNG
(CHEMBL2414542)
Show SMILES CC(C)n1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C19H18N6O2/c1-12(2)25-11-14(10-20-25)16-4-3-9-24-17(16)22-19(23-24)21-15-7-5-13(6-8-15)18(26)27/h3-12H,1-2H3,(H,21,23)(H,26,27)
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n/an/a 151n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438670
PNG
(CHEMBL2414538)
Show SMILES CC(C)Cn1cc(cn1)-c1cccn2nc(Nc3ccc(cc3)C(O)=O)nc12
Show InChI InChI=1S/C20H20N6O2/c1-13(2)11-25-12-15(10-21-25)17-4-3-9-26-18(17)23-20(24-26)22-16-7-5-14(6-8-16)19(27)28/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,27,28)
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n/an/a 156n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438676
PNG
(CHEMBL2414532)
Show SMILES CC(C)Cn1cc(cn1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C19H21N7/c1-13(2)11-25-12-15(10-21-25)17-5-4-6-18-23-19(24-26(17)18)22-16-7-8-20-14(3)9-16/h4-10,12-13H,11H2,1-3H3,(H,20,22,24)
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n/an/a 165n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438681
PNG
(CHEMBL2414553)
Show SMILES COc1ccc(cc1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C19H17N5O/c1-13-12-15(10-11-20-13)21-19-22-18-5-3-4-17(24(18)23-19)14-6-8-16(25-2)9-7-14/h3-12H,1-2H3,(H,20,21,23)
PDB

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n/an/a 174n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50438686
PNG
(CHEMBL2414548)
Show SMILES CC(C)c1cccc(c1)-c1cccc2nc(Nc3ccnc(C)c3)nn12
Show InChI InChI=1S/C21H21N5/c1-14(2)16-6-4-7-17(13-16)19-8-5-9-20-24-21(25-26(19)20)23-18-10-11-22-15(3)12-18/h4-14H,1-3H3,(H,22,23,25)
PDB

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n/an/a 190n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction of phosphorylated STAT5 level


Bioorg Med Chem Lett 23: 5014-21 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.008
BindingDB Entry DOI: 10.7270/Q29S1SF2
More data for this
Ligand-Target Pair
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