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Compile Data Set for Download or QSAR

Found 356 hits with Last Name = 'calaf' and Initial = 'e'   
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))		BDBM50530803
PNG
(CHEMBL4536396)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C19H13F2N7O/c1-10(13-4-2-11(20)6-22-13)28-18-14(25-19(28)29)7-24-17(26-18)15-8-23-16-5-3-12(21)9-27(15)16/h2-10H,1H3,(H,25,29)/t10-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530803
PNG
(CHEMBL4536396)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C19H13F2N7O/c1-10(13-4-2-11(20)6-22-13)28-18-14(25-19(28)29)7-24-17(26-18)15-8-23-16-5-3-12(21)9-27(15)16/h2-10H,1H3,(H,25,29)/t10-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530807
PNG
(CHEMBL4469844)
Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530807
PNG
(CHEMBL4469844)
Show SMILES C[C@H](c1ncc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C18H12F2N8O/c1-9(15-22-4-11(20)5-23-15)28-17-12(25-18(28)29)6-24-16(26-17)13-7-21-14-3-2-10(19)8-27(13)14/h2-9H,1H3,(H,25,29)/t9-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530792
PNG
(CHEMBL4526485)
Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](CC#N)CC4)c3n2)c1 |r,wU:16.15,wD:19.19,(27.52,-36.41,;26.19,-37.18,;24.85,-36.4,;23.52,-37.18,;23.53,-38.72,;22.2,-39.49,;24.85,-39.48,;24.85,-41.02,;26.19,-41.79,;26.18,-43.33,;27.52,-44.1,;28.85,-43.33,;30.32,-43.8,;31.23,-42.55,;32.77,-42.55,;30.32,-41.31,;30.79,-39.84,;29.76,-38.71,;30.24,-37.25,;31.75,-36.93,;32.22,-35.47,;33.72,-35.15,;35.22,-34.83,;32.77,-38.07,;32.3,-39.53,;28.85,-41.78,;27.52,-41.02,;26.19,-38.71,)|
Show InChI InChI=1S/C18H18ClN7O2/c19-11-7-13(16(27)21-8-11)23-17-22-9-14-15(25-17)26(18(28)24-14)12-3-1-10(2-4-12)5-6-20/h7-10,12H,1-5H2,(H,21,27)(H,24,28)(H,22,23,25)/t10-,12-
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530792
PNG
(CHEMBL4526485)
Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](CC#N)CC4)c3n2)c1 |r,wU:16.15,wD:19.19,(27.52,-36.41,;26.19,-37.18,;24.85,-36.4,;23.52,-37.18,;23.53,-38.72,;22.2,-39.49,;24.85,-39.48,;24.85,-41.02,;26.19,-41.79,;26.18,-43.33,;27.52,-44.1,;28.85,-43.33,;30.32,-43.8,;31.23,-42.55,;32.77,-42.55,;30.32,-41.31,;30.79,-39.84,;29.76,-38.71,;30.24,-37.25,;31.75,-36.93,;32.22,-35.47,;33.72,-35.15,;35.22,-34.83,;32.77,-38.07,;32.3,-39.53,;28.85,-41.78,;27.52,-41.02,;26.19,-38.71,)|
Show InChI InChI=1S/C18H18ClN7O2/c19-11-7-13(16(27)21-8-11)23-17-22-9-14-15(25-17)26(18(28)24-14)12-3-1-10(2-4-12)5-6-20/h7-10,12H,1-5H2,(H,21,27)(H,24,28)(H,22,23,25)/t10-,12-
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530780
PNG
(CHEMBL4450301)
Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530780
PNG
(CHEMBL4450301)
Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530801
PNG
(CHEMBL4471599)
Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530801
PNG
(CHEMBL4471599)
Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530801
PNG
(CHEMBL4471599)
Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530801
PNG
(CHEMBL4471599)
Show SMILES O[C@@H]1CC[C@H](c2ccccc12)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C22H17FN6O2/c23-12-5-8-19-24-10-17(28(19)11-12)20-25-9-15-21(27-20)29(22(31)26-15)16-6-7-18(30)14-4-2-1-3-13(14)16/h1-5,8-11,16,18,30H,6-7H2,(H,26,31)/t16-,18-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530784
PNG
(CHEMBL4482927)
Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C19H14ClFN6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530775
PNG
(CHEMBL4526498)
Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530775
PNG
(CHEMBL4526498)
Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530784
PNG
(CHEMBL4482927)
Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C19H14ClFN6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530786
PNG
(CHEMBL4448906)
Show SMILES Fc1ccc2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)n2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-17-24-9-16(28(17)10-11)19-25-8-14-20(27-19)29(21(30)26-14)15-6-7-31-18-12(15)2-1-3-13(18)23/h1-5,8-10,15H,6-7H2,(H,26,30)/t15-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530786
PNG
(CHEMBL4448906)
Show SMILES Fc1ccc2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)n2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-17-24-9-16(28(17)10-11)19-25-8-14-20(27-19)29(21(30)26-14)15-6-7-31-18-12(15)2-1-3-13(18)23/h1-5,8-10,15H,6-7H2,(H,26,30)/t15-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50311656
PNG
(2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)
Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50311656
PNG
(2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)
Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530784
PNG
(CHEMBL4482927)
Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C19H14ClFN6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530784
PNG
(CHEMBL4482927)
Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C19H14ClFN6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530795
PNG
(CHEMBL4443416)
Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CCCN(C4)C(=O)CC#N)c3n2)c1 |r|
Show InChI InChI=1S/C18H17ClN8O3/c19-10-6-12(16(29)21-7-10)23-17-22-8-13-15(25-17)27(18(30)24-13)11-2-1-5-26(9-11)14(28)3-4-20/h6-8,11H,1-3,5,9H2,(H,21,29)(H,24,30)(H,22,23,25)/t11-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530788
PNG
(CHEMBL4460058)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C17H13ClFN7O2/c1-8(11-3-2-10(19)6-20-11)26-14-13(24-17(26)28)7-22-16(25-14)23-12-4-9(18)5-21-15(12)27/h2-8H,1H3,(H,21,27)(H,24,28)(H,22,23,25)/t8-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530795
PNG
(CHEMBL4443416)
Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CCCN(C4)C(=O)CC#N)c3n2)c1 |r|
Show InChI InChI=1S/C18H17ClN8O3/c19-10-6-12(16(29)21-7-10)23-17-22-8-13-15(25-17)27(18(30)24-13)11-2-1-5-26(9-11)14(28)3-4-20/h6-8,11H,1-3,5,9H2,(H,21,29)(H,24,30)(H,22,23,25)/t11-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530788
PNG
(CHEMBL4460058)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C17H13ClFN7O2/c1-8(11-3-2-10(19)6-20-11)26-14-13(24-17(26)28)7-22-16(25-14)23-12-4-9(18)5-21-15(12)27/h2-8H,1H3,(H,21,27)(H,24,28)(H,22,23,25)/t8-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530793
PNG
(CHEMBL4463007)
Show SMILES O=c1[nH]c2cnc(Nc3ccc[nH]c3=O)nc2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.20,wD:21.24,(13.29,-42.56,;11.75,-42.56,;10.84,-43.81,;9.37,-43.33,;8.04,-44.11,;6.7,-43.34,;6.71,-41.8,;5.37,-41.02,;5.37,-39.48,;6.71,-38.72,;6.71,-37.18,;5.38,-36.41,;4.04,-37.19,;4.05,-38.73,;2.72,-39.5,;8.04,-41.02,;9.37,-41.79,;10.84,-41.32,;11.31,-39.85,;10.28,-38.72,;10.76,-37.25,;12.27,-36.93,;12.74,-35.48,;14.24,-35.16,;15.74,-34.84,;13.29,-38.08,;12.82,-39.54,)|
Show InChI InChI=1S/C18H19N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,20,26)(H,23,27)(H,21,22,24)/t11-,12-
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530793
PNG
(CHEMBL4463007)
Show SMILES O=c1[nH]c2cnc(Nc3ccc[nH]c3=O)nc2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.20,wD:21.24,(13.29,-42.56,;11.75,-42.56,;10.84,-43.81,;9.37,-43.33,;8.04,-44.11,;6.7,-43.34,;6.71,-41.8,;5.37,-41.02,;5.37,-39.48,;6.71,-38.72,;6.71,-37.18,;5.38,-36.41,;4.04,-37.19,;4.05,-38.73,;2.72,-39.5,;8.04,-41.02,;9.37,-41.79,;10.84,-41.32,;11.31,-39.85,;10.28,-38.72,;10.76,-37.25,;12.27,-36.93,;12.74,-35.48,;14.24,-35.16,;15.74,-34.84,;13.29,-38.08,;12.82,-39.54,)|
Show InChI InChI=1S/C18H19N7O2/c19-8-7-11-3-5-12(6-4-11)25-15-14(23-18(25)27)10-21-17(24-15)22-13-2-1-9-20-16(13)26/h1-2,9-12H,3-7H2,(H,20,26)(H,23,27)(H,21,22,24)/t11-,12-
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n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50311656
PNG
(2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)
Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530783
PNG
(CHEMBL4550310)
Show SMILES O=C(CC#N)N1CCC[C@@H](C1)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C18H18N8O3/c19-6-5-14(27)25-8-2-3-11(10-25)26-15-13(23-18(26)29)9-21-17(24-15)22-12-4-1-7-20-16(12)28/h1,4,7,9,11H,2-3,5,8,10H2,(H,20,28)(H,23,29)(H,21,22,24)/t11-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530783
PNG
(CHEMBL4550310)
Show SMILES O=C(CC#N)N1CCC[C@@H](C1)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C18H18N8O3/c19-6-5-14(27)25-8-2-3-11(10-25)26-15-13(23-18(26)29)9-21-17(24-15)22-12-4-1-7-20-16(12)28/h1,4,7,9,11H,2-3,5,8,10H2,(H,20,28)(H,23,29)(H,21,22,24)/t11-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50311656
PNG
(2-(6-fluoro-1H-benzo[d]imidazol-1-yl)-9-(8-fluoroc...)
Show SMILES Fc1ccc2ncn(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)c2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-14-17(8-11)28(10-25-14)20-24-9-15-19(27-20)29(21(30)26-15)16-6-7-31-18-12(16)2-1-3-13(18)23/h1-5,8-10,16H,6-7H2,(H,26,30)/t16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530782
PNG
(CHEMBL4536419)
Show SMILES Cc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C20H17FN6O3/c1-10-7-13(18(28)22-8-10)24-19-23-9-14-17(26-19)27(20(29)25-14)15-5-6-30-16-11(15)3-2-4-12(16)21/h2-4,7-9,15H,5-6H2,1H3,(H,22,28)(H,25,29)(H,23,24,26)/t15-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530782
PNG
(CHEMBL4536419)
Show SMILES Cc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C20H17FN6O3/c1-10-7-13(18(28)22-8-10)24-19-23-9-14-17(26-19)27(20(29)25-14)15-5-6-30-16-11(15)3-2-4-12(16)21/h2-4,7-9,15H,5-6H2,1H3,(H,22,28)(H,25,29)(H,23,24,26)/t15-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530788
PNG
(CHEMBL4460058)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C17H13ClFN7O2/c1-8(11-3-2-10(19)6-20-11)26-14-13(24-17(26)28)7-22-16(25-14)23-12-4-9(18)5-21-15(12)27/h2-8H,1H3,(H,21,27)(H,24,28)(H,22,23,25)/t8-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530788
PNG
(CHEMBL4460058)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(Nc3cc(Cl)c[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C17H13ClFN7O2/c1-8(11-3-2-10(19)6-20-11)26-14-13(24-17(26)28)7-22-16(25-14)23-12-4-9(18)5-21-15(12)27/h2-8H,1H3,(H,21,27)(H,24,28)(H,22,23,25)/t8-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530775
PNG
(CHEMBL4526498)
Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530775
PNG
(CHEMBL4526498)
Show SMILES Fc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C19H14F2N6O3/c20-9-6-12(17(28)22-7-9)24-18-23-8-13-16(26-18)27(19(29)25-13)14-4-5-30-15-10(14)2-1-3-11(15)21/h1-3,6-8,14H,4-5H2,(H,22,28)(H,25,29)(H,23,24,26)/t14-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530782
PNG
(CHEMBL4536419)
Show SMILES Cc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C20H17FN6O3/c1-10-7-13(18(28)22-8-10)24-19-23-9-14-17(26-19)27(20(29)25-14)15-5-6-30-16-11(15)3-2-4-12(16)21/h2-4,7-9,15H,5-6H2,1H3,(H,22,28)(H,25,29)(H,23,24,26)/t15-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530795
PNG
(CHEMBL4443416)
Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CCCN(C4)C(=O)CC#N)c3n2)c1 |r|
Show InChI InChI=1S/C18H17ClN8O3/c19-10-6-12(16(29)21-7-10)23-17-22-8-13-15(25-17)27(18(30)24-13)11-2-1-5-26(9-11)14(28)3-4-20/h6-8,11H,1-3,5,9H2,(H,21,29)(H,24,30)(H,22,23,25)/t11-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530782
PNG
(CHEMBL4536419)
Show SMILES Cc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@@H]4CCOc5c(F)cccc45)c3n2)c1 |r|
Show InChI InChI=1S/C20H17FN6O3/c1-10-7-13(18(28)22-8-10)24-19-23-9-14-17(26-19)27(20(29)25-14)15-5-6-30-16-11(15)3-2-4-12(16)21/h2-4,7-9,15H,5-6H2,1H3,(H,22,28)(H,25,29)(H,23,24,26)/t15-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50530795
PNG
(CHEMBL4443416)
Show SMILES Clc1c[nH]c(=O)c(Nc2ncc3[nH]c(=O)n([C@H]4CCCN(C4)C(=O)CC#N)c3n2)c1 |r|
Show InChI InChI=1S/C18H17ClN8O3/c19-10-6-12(16(29)21-7-10)23-17-22-8-13-15(25-17)27(18(30)24-13)11-2-1-5-26(9-11)14(28)3-4-20/h6-8,11H,1-3,5,9H2,(H,21,29)(H,24,30)(H,22,23,25)/t11-/m0/s1
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n/an/a 2.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK2 (826 to 1132 residues) expressed in baculovirus expression system using PolyGT-Biotin as s...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530786
PNG
(CHEMBL4448906)
Show SMILES Fc1ccc2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)n2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-17-24-9-16(28(17)10-11)19-25-8-14-20(27-19)29(21(30)26-14)15-6-7-31-18-12(15)2-1-3-13(18)23/h1-5,8-10,15H,6-7H2,(H,26,30)/t15-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530786
PNG
(CHEMBL4448906)
Show SMILES Fc1ccc2ncc(-c3ncc4[nH]c(=O)n([C@@H]5CCOc6c(F)cccc56)c4n3)n2c1 |r|
Show InChI InChI=1S/C21H14F2N6O2/c22-11-4-5-17-24-9-16(28(17)10-11)19-25-8-14-20(27-19)29(21(30)26-14)15-6-7-31-18-12(15)2-1-3-13(18)23/h1-5,8-10,15H,6-7H2,(H,26,30)/t15-/m1/s1
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n/an/a 2.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530780
PNG
(CHEMBL4450301)
Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530780
PNG
(CHEMBL4450301)
Show SMILES C[C@H](c1ccccc1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C20H15FN6O/c1-12(13-5-3-2-4-6-13)27-19-15(24-20(27)28)9-23-18(25-19)16-10-22-17-8-7-14(21)11-26(16)17/h2-12H,1H3,(H,24,28)/t12-/m1/s1
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n/an/a 2.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530787
PNG
(CHEMBL4558494)
Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C19H15FN6O3/c20-11-4-1-3-10-14(6-8-29-15(10)11)26-16-13(24-19(26)28)9-22-18(25-16)23-12-5-2-7-21-17(12)27/h1-5,7,9,14H,6,8H2,(H,21,27)(H,24,28)(H,22,23,25)/t14-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530787
PNG
(CHEMBL4558494)
Show SMILES Fc1cccc2[C@@H](CCOc12)n1c2nc(Nc3ccc[nH]c3=O)ncc2[nH]c1=O |r|
Show InChI InChI=1S/C19H15FN6O3/c20-11-4-1-3-10-14(6-8-29-15(10)11)26-16-13(24-19(26)28)9-22-18(25-16)23-12-5-2-7-21-17(12)27/h1-5,7,9,14H,6,8H2,(H,21,27)(H,24,28)(H,22,23,25)/t14-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530803
PNG
(CHEMBL4536396)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C19H13F2N7O/c1-10(13-4-2-11(20)6-22-13)28-18-14(25-19(28)29)7-24-17(26-18)15-8-23-16-5-3-12(21)9-27(15)16/h2-10H,1H3,(H,25,29)/t10-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50530803
PNG
(CHEMBL4536396)
Show SMILES C[C@H](c1ccc(F)cn1)n1c2nc(ncc2[nH]c1=O)-c1cnc2ccc(F)cn12 |r|
Show InChI InChI=1S/C19H13F2N7O/c1-10(13-4-2-11(20)6-22-13)28-18-14(25-19(28)29)7-24-17(26-18)15-8-23-16-5-3-12(21)9-27(15)16/h2-10H,1H3,(H,25,29)/t10-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in Sf1 cells using PolyGT-Biotin as substrate measured af...

J Med Chem 62: 9045-9060 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00533
BindingDB Entry DOI: 10.7270/Q24Q7ZF5
More data for this
Ligand-Target Pair
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