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PubMed code 27771180

Compile data set for download or QSAR
Found 49 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))		BDBM50201907
PNG
(CHEMBL3940537)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(25-18-3-5-19(6-4-18)27-9-11-31-12-10-27)26-22(16)21-13-17-15-28(33(2,29)30)8-7-20(17)32-21/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,25,26)
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n/an/a 0.700n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201810
PNG
(CHEMBL3907087)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C23H22N4O2/c1-16-15-24-23(26-22(16)21-14-17-4-2-3-5-20(17)29-21)25-18-6-8-19(9-7-18)27-10-12-28-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)
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n/an/a 8.90n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202464
PNG
(CHEMBL3970092)
Show SMILES COc1cc(Nc2ncc(F)c(n2)-c2cc3CN(CCc3o2)S(C)(=O)=O)cc(OC)c1OC
Show InChI InChI=1S/C21H23FN4O6S/c1-29-17-8-13(9-18(30-2)20(17)31-3)24-21-23-10-14(22)19(25-21)16-7-12-11-26(33(4,27)28)6-5-15(12)32-16/h7-10H,5-6,11H2,1-4H3,(H,23,24,25)
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n/an/a 9.40n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202467
PNG
(CHEMBL3948663)
Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)
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n/an/a 13n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202460
PNG
(CHEMBL3912973)
Show SMILES Cc1cnc(Nc2ccc(OCC(O)=O)cc2)nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C21H17N3O4/c1-13-11-22-21(23-15-6-8-16(9-7-15)27-12-19(25)26)24-20(13)18-10-14-4-2-3-5-17(14)28-18/h2-11H,12H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 17n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202466
PNG
(CHEMBL3895231)
Show SMILES CCOC(=O)COc1cccc(Nc2ncc(C)c(n2)-c2cc3ccccc3o2)c1
Show InChI InChI=1S/C23H21N3O4/c1-3-28-21(27)14-29-18-9-6-8-17(12-18)25-23-24-13-15(2)22(26-23)20-11-16-7-4-5-10-19(16)30-20/h4-13H,3,14H2,1-2H3,(H,24,25,26)
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n/an/a 19n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50201907
PNG
(CHEMBL3940537)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(25-18-3-5-19(6-4-18)27-9-11-31-12-10-27)26-22(16)21-13-17-15-28(33(2,29)30)8-7-20(17)32-21/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,25,26)
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n/an/a 23n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201809
PNG
(CHEMBL3903955)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1
Show InChI InChI=1S/C26H25F3N4O3/c1-17-14-30-25(31-20-3-5-21(6-4-20)33-8-10-34-11-9-33)32-24(17)23-13-19-12-18(2-7-22(19)36-23)15-35-16-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H,30,31,32)
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n/an/a 26n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202461
PNG
(CHEMBL3950301)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H28N6O3S/c1-27-11-13-28(14-12-27)19-5-3-18(4-6-19)25-23-24-9-7-20(26-23)22-15-17-16-29(33(2,30)31)10-8-21(17)32-22/h3-7,9,15H,8,10-14,16H2,1-2H3,(H,24,25,26)
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n/an/a 38n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202462
PNG
(CHEMBL3920857)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H25N5O4S/c1-32(28,29)27-9-7-20-16(15-27)14-21(31-20)19-6-8-23-22(25-19)24-17-2-4-18(5-3-17)26-10-12-30-13-11-26/h2-6,8,14H,7,9-13,15H2,1H3,(H,23,24,25)
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n/an/a 43n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50201907
PNG
(CHEMBL3940537)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(25-18-3-5-19(6-4-18)27-9-11-31-12-10-27)26-22(16)21-13-17-15-28(33(2,29)30)8-7-20(17)32-21/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,25,26)
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n/an/a 50n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201808
PNG
(CHEMBL3922588)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1
Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)
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n/an/a 54n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50203299
PNG
(CHEMBL3913592)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1nc(Nc2ccc(OCCN3CCCC3)cc2)ncc1F
Show InChI InChI=1S/C24H28FN5O4S/c1-35(31,32)30-11-8-21-17(16-30)14-22(34-21)23-20(25)15-26-24(28-23)27-18-4-6-19(7-5-18)33-13-12-29-9-2-3-10-29/h4-7,14-15H,2-3,8-13,16H2,1H3,(H,26,27,28)
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n/an/a 55n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202466
PNG
(CHEMBL3895231)
Show SMILES CCOC(=O)COc1cccc(Nc2ncc(C)c(n2)-c2cc3ccccc3o2)c1
Show InChI InChI=1S/C23H21N3O4/c1-3-28-21(27)14-29-18-9-6-8-17(12-18)25-23-24-13-15(2)22(26-23)20-11-16-7-4-5-10-19(16)30-20/h4-13H,3,14H2,1-2H3,(H,24,25,26)
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n/an/a 88n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50201808
PNG
(CHEMBL3922588)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1
Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)
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n/an/a 136n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202463
PNG
(CHEMBL3895028)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)N2CCNCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H19F3N6O/c25-24(26,27)19-14-30-23(31-17-2-4-18(5-3-17)33-9-7-29-8-10-33)32-22(19)21-12-16-11-15(13-28)1-6-20(16)34-21/h1-6,11-12,14,29H,7-10H2,(H,30,31,32)
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n/an/a 137n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202467
PNG
(CHEMBL3948663)
Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)
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n/an/a 141n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 156n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201812
PNG
(CHEMBL3941571)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1
Show InChI InChI=1S/C24H29N5O4S/c1-34(30,31)29-13-9-22-18(17-29)16-23(33-22)21-8-10-25-24(27-21)26-19-4-6-20(7-5-19)32-15-14-28-11-2-3-12-28/h4-8,10,16H,2-3,9,11-15,17H2,1H3,(H,25,26,27)
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n/an/a 164n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50203299
PNG
(CHEMBL3913592)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1nc(Nc2ccc(OCCN3CCCC3)cc2)ncc1F
Show InChI InChI=1S/C24H28FN5O4S/c1-35(31,32)30-11-8-21-17(16-30)14-22(34-21)23-20(25)15-26-24(28-23)27-18-4-6-19(7-5-18)33-13-12-29-9-2-3-10-29/h4-7,14-15H,2-3,8-13,16H2,1H3,(H,26,27,28)
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n/an/a 176n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202464
PNG
(CHEMBL3970092)
Show SMILES COc1cc(Nc2ncc(F)c(n2)-c2cc3CN(CCc3o2)S(C)(=O)=O)cc(OC)c1OC
Show InChI InChI=1S/C21H23FN4O6S/c1-29-17-8-13(9-18(30-2)20(17)31-3)24-21-23-10-14(22)19(25-21)16-7-12-11-26(33(4,27)28)6-5-15(12)32-16/h7-10H,5-6,11H2,1-4H3,(H,23,24,25)
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n/an/a 178n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50201810
PNG
(CHEMBL3907087)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C23H22N4O2/c1-16-15-24-23(26-22(16)21-14-17-4-2-3-5-20(17)29-21)25-18-6-8-19(9-7-18)27-10-12-28-13-11-27/h2-9,14-15H,10-13H2,1H3,(H,24,25,26)
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n/an/a 183n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202463
PNG
(CHEMBL3895028)
Show SMILES FC(F)(F)c1cnc(Nc2ccc(cc2)N2CCNCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H19F3N6O/c25-24(26,27)19-14-30-23(31-17-2-4-18(5-3-17)33-9-7-29-8-10-33)32-22(19)21-12-16-11-15(13-28)1-6-20(16)34-21/h1-6,11-12,14,29H,7-10H2,(H,30,31,32)
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n/an/a 202n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202461
PNG
(CHEMBL3950301)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C23H28N6O3S/c1-27-11-13-28(14-12-27)19-5-3-18(4-6-19)25-23-24-9-7-20(26-23)22-15-17-16-29(33(2,30)31)10-8-21(17)32-22/h3-7,9,15H,8,10-14,16H2,1-2H3,(H,24,25,26)
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n/an/a 204n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202462
PNG
(CHEMBL3920857)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H25N5O4S/c1-32(28,29)27-9-7-20-16(15-27)14-21(31-20)19-6-8-23-22(25-19)24-17-2-4-18(5-3-17)26-10-12-30-13-11-26/h2-6,8,14H,7,9-13,15H2,1H3,(H,23,24,25)
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n/an/a 226n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50203298
PNG
(CHEMBL3974845)
Show SMILES Cc1cnc(Nc2ccc(\C=C\C(=O)NO)cc2)nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C22H18N4O3/c1-14-13-23-22(24-17-9-6-15(7-10-17)8-11-20(27)26-28)25-21(14)19-12-16-4-2-3-5-18(16)29-19/h2-13,28H,1H3,(H,26,27)(H,23,24,25)/b11-8+
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n/an/a 226n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 275n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202465
PNG
(CHEMBL3934182)
Show SMILES CCOC(=O)COc1ccc(Nc2ncc(C)c(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C23H21N3O4/c1-3-28-21(27)14-29-18-10-8-17(9-11-18)25-23-24-13-15(2)22(26-23)20-12-16-6-4-5-7-19(16)30-20/h4-13H,3,14H2,1-2H3,(H,24,25,26)
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n/an/a 325n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202460
PNG
(CHEMBL3912973)
Show SMILES Cc1cnc(Nc2ccc(OCC(O)=O)cc2)nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C21H17N3O4/c1-13-11-22-21(23-15-6-8-16(9-7-15)27-12-19(25)26)24-20(13)18-10-14-4-2-3-5-17(14)28-18/h2-11H,12H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 359n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 364n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201907
PNG
(CHEMBL3940537)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(25-18-3-5-19(6-4-18)27-9-11-31-12-10-27)26-22(16)21-13-17-15-28(33(2,29)30)8-7-20(17)32-21/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,25,26)
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n/an/a 426n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50201812
PNG
(CHEMBL3941571)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1
Show InChI InChI=1S/C24H29N5O4S/c1-34(30,31)29-13-9-22-18(17-29)16-23(33-22)21-8-10-25-24(27-21)26-19-4-6-20(7-5-19)32-15-14-28-11-2-3-12-28/h4-8,10,16H,2-3,9,11-15,17H2,1H3,(H,25,26,27)
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n/an/a 501n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50201809
PNG
(CHEMBL3903955)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1
Show InChI InChI=1S/C26H25F3N4O3/c1-17-14-30-25(31-20-3-5-21(6-4-20)33-8-10-34-11-9-33)32-24(17)23-13-19-12-18(2-7-22(19)36-23)15-35-16-26(27,28)29/h2-7,12-14H,8-11,15-16H2,1H3,(H,30,31,32)
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n/an/a 837n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)		BDBM50201907
PNG
(CHEMBL3940537)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N5O4S/c1-16-14-24-23(25-18-3-5-19(6-4-18)27-9-11-31-12-10-27)26-22(16)21-13-17-15-28(33(2,29)30)8-7-20(17)32-21/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,25,26)
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n/an/a 848n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202465
PNG
(CHEMBL3934182)
Show SMILES CCOC(=O)COc1ccc(Nc2ncc(C)c(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C23H21N3O4/c1-3-28-21(27)14-29-18-10-8-17(9-11-18)25-23-24-13-15(2)22(26-23)20-12-16-6-4-5-7-19(16)30-20/h4-13H,3,14H2,1-2H3,(H,24,25,26)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50203298
PNG
(CHEMBL3974845)
Show SMILES Cc1cnc(Nc2ccc(\C=C\C(=O)NO)cc2)nc1-c1cc2ccccc2o1
Show InChI InChI=1S/C22H18N4O3/c1-14-13-23-22(24-17-9-6-15(7-10-17)8-11-20(27)26-28)25-21(14)19-12-16-4-2-3-5-18(16)29-19/h2-13,28H,1H3,(H,26,27)(H,23,24,25)/b11-8+
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n/an/a 1.58E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)		BDBM50201811
PNG
(CHEMBL3966342)
Show SMILES Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2cc(ccc2o1)C#N
Show InChI InChI=1S/C24H21N5O2/c1-16-15-26-24(27-19-3-5-20(6-4-19)29-8-10-30-11-9-29)28-23(16)22-13-18-12-17(14-25)2-7-21(18)31-22/h2-7,12-13,15H,8-11H2,1H3,(H,26,27,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201808
PNG
(CHEMBL3922588)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1
Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202467
PNG
(CHEMBL3948663)
Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)		BDBM50201808
PNG
(CHEMBL3922588)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc3CN(CCc3o2)C(=O)CC#N)cc1
Show InChI InChI=1S/C25H27N7O2/c1-30-12-14-31(15-13-30)20-4-2-19(3-5-20)28-25-27-10-7-21(29-25)23-16-18-17-32(24(33)6-9-26)11-8-22(18)34-23/h2-5,7,10,16H,6,8,11-15,17H2,1H3,(H,27,28,29)
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n/an/a 3.33E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50201812
PNG
(CHEMBL3941571)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1
Show InChI InChI=1S/C24H29N5O4S/c1-34(30,31)29-13-9-22-18(17-29)16-23(33-22)21-8-10-25-24(27-21)26-19-4-6-20(7-5-19)32-15-14-28-11-2-3-12-28/h4-8,10,16H,2-3,9,11-15,17H2,1H3,(H,25,26,27)
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n/an/a 4.31E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human TF1 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50202468
PNG
(CHEMBL3955194)
Show SMILES CC1CC(C)CN(C1)c1ccc(Nc2ncc(c(n2)-c2cc3ccc(cc3o2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O/c1-16-9-17(2)15-35(14-16)21-7-5-20(6-8-21)33-26-32-13-22(27(28,29)30)25(34-26)24-11-19-4-3-18(12-31)10-23(19)36-24/h3-8,10-11,13,16-17H,9,14-15H2,1-2H3,(H,32,33,34)
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n/an/a 5.17E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human cytoplasmic JAK3 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins f...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)		BDBM50201812
PNG
(CHEMBL3941571)
Show SMILES CS(=O)(=O)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(OCCN3CCCC3)cc2)n1
Show InChI InChI=1S/C24H29N5O4S/c1-34(30,31)29-13-9-22-18(17-29)16-23(33-22)21-8-10-25-24(27-21)26-19-4-6-20(7-5-19)32-15-14-28-11-2-3-12-28/h4-8,10,16H,2-3,9,11-15,17H2,1H3,(H,25,26,27)
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n/an/a 5.36E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50202468
PNG
(CHEMBL3955194)
Show SMILES CC1CC(C)CN(C1)c1ccc(Nc2ncc(c(n2)-c2cc3ccc(cc3o2)C#N)C(F)(F)F)cc1
Show InChI InChI=1S/C27H24F3N5O/c1-16-9-17(2)15-35(14-16)21-7-5-20(6-8-21)33-26-32-13-22(27(28,29)30)25(34-26)24-11-19-4-3-18(12-31)10-23(19)36-24/h3-8,10-11,13,16-17H,9,14-15H2,1-2H3,(H,32,33,34)
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n/an/a 7.09E+3n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human JAK2 expressed in baculovirus using TK-substrate-biotin as substrate preincubated for 5 mins followed by s...

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Mus musculus)		BDBM50202467
PNG
(CHEMBL3948663)
Show SMILES O=C(CC#N)N1CCc2oc(cc2C1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C24H24N6O3/c25-8-5-23(31)30-10-7-21-17(16-30)15-22(33-21)20-6-9-26-24(28-20)27-18-1-3-19(4-2-18)29-11-13-32-14-12-29/h1-4,6,9,15H,5,7,10-14,16H2,(H,26,27,28)
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n/an/a 1.01E+4n/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of JAK3 in mouse HT2 cells assessed as suppression of cell growth

Bioorg Med Chem 25: 75-83 (2017)


Article DOI: 10.1016/j.bmc.2016.10.011
BindingDB Entry DOI: 10.7270/Q21Z46CH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%