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PubMed code 26701356

Compile data set for download or QSAR
Found 100 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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146027
PNG
(CHEMBL3763213)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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n/an/a 0.800n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146030
PNG
(CHEMBL3763991)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146026
PNG
(CHEMBL3764277)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146025
PNG
(CHEMBL3765517)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146031
PNG
(CHEMBL3763252)
Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146027
PNG
(CHEMBL3763213)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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n/an/a 3.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146025
PNG
(CHEMBL3765517)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146026
PNG
(CHEMBL3764277)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146031
PNG
(CHEMBL3763252)
Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146028
PNG
(CHEMBL3764030)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146035
PNG
(CHEMBL3764637)
Show SMILES CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)
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n/an/a 6.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146028
PNG
(CHEMBL3764030)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146071
PNG
(CHEMBL3764463)
Show SMILES Nc1n[nH]c2c(cn(-c3ccccc3Cl)c(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H12ClN5O/c18-11-5-1-2-7-13(11)23-9-10(12-6-3-4-8-20-12)15-14(17(23)24)16(19)22-21-15/h1-9H,(H3,19,21,22)
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n/an/a 6.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146030
PNG
(CHEMBL3763991)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146030
PNG
(CHEMBL3763991)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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n/an/a 8.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146029
PNG
(CHEMBL3764383)
Show SMILES CC(C)[C@@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m1/s1
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n/an/a 9.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146072
PNG
(CHEMBL3765131)
Show SMILES Cn1ccc(n1)-c1cn(-c2ccccc2Cl)c(=O)c2c(N)n[nH]c12
Show InChI InChI=1S/C16H13ClN6O/c1-22-7-6-11(21-22)9-8-23(12-5-3-2-4-10(12)17)16(24)13-14(9)19-20-15(13)18/h2-8H,1H3,(H3,18,19,20)
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n/an/a 9.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146026
PNG
(CHEMBL3764277)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146031
PNG
(CHEMBL3763252)
Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146025
PNG
(CHEMBL3765517)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146027
PNG
(CHEMBL3763213)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in human PBMC assessed as reduction in IFNalpha-induced STAT1 phosphorylation preincubated for 5 mins followed by IFNalpha st...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146031
PNG
(CHEMBL3763252)
Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146027
PNG
(CHEMBL3763213)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146030
PNG
(CHEMBL3763991)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146026
PNG
(CHEMBL3764277)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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n/an/a 25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146071
PNG
(CHEMBL3764463)
Show SMILES Nc1n[nH]c2c(cn(-c3ccccc3Cl)c(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H12ClN5O/c18-11-5-1-2-7-13(11)23-9-10(12-6-3-4-8-20-12)15-14(17(23)24)16(19)22-21-15/h1-9H,(H3,19,21,22)
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n/an/a 27n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146036
PNG
(CHEMBL3763864)
Show SMILES Cc1ccccc1-n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20)
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n/an/a 30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146028
PNG
(CHEMBL3764030)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146035
PNG
(CHEMBL3764637)
Show SMILES CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)
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n/an/a 32n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146034
PNG
(CHEMBL3764167)
Show SMILES CCC(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-4-8(2)20-7-9(10-5-6-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h5-8H,4H2,1-3H3,(H3,15,16,17)
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n/an/a 33n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146072
PNG
(CHEMBL3765131)
Show SMILES Cn1ccc(n1)-c1cn(-c2ccccc2Cl)c(=O)c2c(N)n[nH]c12
Show InChI InChI=1S/C16H13ClN6O/c1-22-7-6-11(21-22)9-8-23(12-5-3-2-4-10(12)17)16(24)13-14(9)19-20-15(13)18/h2-8H,1H3,(H3,18,19,20)
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n/an/a 39n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146030
PNG
(CHEMBL3763991)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1
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n/an/a 48n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146034
PNG
(CHEMBL3764167)
Show SMILES CCC(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-4-8(2)20-7-9(10-5-6-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h5-8H,4H2,1-3H3,(H3,15,16,17)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146031
PNG
(CHEMBL3763252)
Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146071
PNG
(CHEMBL3764463)
Show SMILES Nc1n[nH]c2c(cn(-c3ccccc3Cl)c(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H12ClN5O/c18-11-5-1-2-7-13(11)23-9-10(12-6-3-4-8-20-12)15-14(17(23)24)16(19)22-21-15/h1-9H,(H3,19,21,22)
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n/an/a 65n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in human PBMC assessed as reduction in IFNalpha-induced STAT1 phosphorylation preincubated for 5 mins followed by IFNalpha st...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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n/an/a 67n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL-21-induced STAT3 phosphorylation preincubated for 5 mins followed by IL-21 stimulat...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146025
PNG
(CHEMBL3765517)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146028
PNG
(CHEMBL3764030)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146033
PNG
(CHEMBL3763697)
Show SMILES CC(C)Cn1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-8(2)6-20-7-9(10-4-5-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h4-5,7-8H,6H2,1-3H3,(H3,15,16,17)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146035
PNG
(CHEMBL3764637)
Show SMILES CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146036
PNG
(CHEMBL3763864)
Show SMILES Cc1ccccc1-n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146029
PNG
(CHEMBL3764383)
Show SMILES CC(C)[C@@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146034
PNG
(CHEMBL3764167)
Show SMILES CCC(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-4-8(2)20-7-9(10-5-6-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h5-8H,4H2,1-3H3,(H3,15,16,17)
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n/an/a 90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146072
PNG
(CHEMBL3765131)
Show SMILES Cn1ccc(n1)-c1cn(-c2ccccc2Cl)c(=O)c2c(N)n[nH]c12
Show InChI InChI=1S/C16H13ClN6O/c1-22-7-6-11(21-22)9-8-23(12-5-3-2-4-10(12)17)16(24)13-14(9)19-20-15(13)18/h2-8H,1H3,(H3,18,19,20)
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n/an/a 91n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146032
PNG
(CHEMBL3763184)
Show SMILES CCC(C(C)C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C16H22N6O/c1-5-12(9(2)3)22-8-10(11-6-7-21(4)20-11)14-13(16(22)23)15(17)19-18-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19)
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n/an/a 91n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146032
PNG
(CHEMBL3763184)
Show SMILES CCC(C(C)C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C16H22N6O/c1-5-12(9(2)3)22-8-10(11-6-7-21(4)20-11)14-13(16(22)23)15(17)19-18-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146029
PNG
(CHEMBL3764383)
Show SMILES CC(C)[C@@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146033
PNG
(CHEMBL3763697)
Show SMILES CC(C)Cn1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-8(2)6-20-7-9(10-4-5-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h4-5,7-8H,6H2,1-3H3,(H3,15,16,17)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146026
PNG
(CHEMBL3764277)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146036
PNG
(CHEMBL3763864)
Show SMILES Cc1ccccc1-n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146029
PNG
(CHEMBL3764383)
Show SMILES CC(C)[C@@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146028
PNG
(CHEMBL3764030)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146034
PNG
(CHEMBL3764167)
Show SMILES CCC(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-4-8(2)20-7-9(10-5-6-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h5-8H,4H2,1-3H3,(H3,15,16,17)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146027
PNG
(CHEMBL3763213)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK2 in human PBMC assessed as reduction in IL-23-induced STAT4 phosphorylation preincubated for 5 mins followed by IL-23 stimulat...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK2 in human PBMC assessed as reduction in IL-23-induced STAT4 phosphorylation preincubated for 5 mins followed by IL-23 stimulat...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146025
PNG
(CHEMBL3765517)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146033
PNG
(CHEMBL3763697)
Show SMILES CC(C)Cn1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-8(2)6-20-7-9(10-4-5-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h4-5,7-8H,6H2,1-3H3,(H3,15,16,17)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146032
PNG
(CHEMBL3763184)
Show SMILES CCC(C(C)C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C16H22N6O/c1-5-12(9(2)3)22-8-10(11-6-7-21(4)20-11)14-13(16(22)23)15(17)19-18-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50254869
PNG
(5-(2-chlorophenyl)-1H-indazol-3-amine | CHEMBL4988...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C13H10ClN3/c14-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(15)17-16-12/h1-7H,(H3,15,16,17)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
JAK3/JAK1


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1/JAK3 in human PBMC assessed as reduction in IL-21-induced STAT3 phosphorylation preincubated for 5 mins followed by IL-21 stimulat...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC assessed as reduction in GM-CSF-induced STAT5 phosphorylation preincubated for 5 mins followed by GM-CSF stimulation...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146035
PNG
(CHEMBL3764637)
Show SMILES CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146035
PNG
(CHEMBL3764637)
Show SMILES CC(C)C(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50254869
PNG
(5-(2-chlorophenyl)-1H-indazol-3-amine | CHEMBL4988...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C13H10ClN3/c14-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(15)17-16-12/h1-7H,(H3,15,16,17)
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146073
PNG
(CHEMBL3763289)
Show SMILES Nc1n[nH]c2ccn(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C12H9ClN4O/c13-7-3-1-2-4-9(7)17-6-5-8-10(12(17)18)11(14)16-15-8/h1-6H,(H3,14,15,16)
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146073
PNG
(CHEMBL3763289)
Show SMILES Nc1n[nH]c2ccn(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C12H9ClN4O/c13-7-3-1-2-4-9(7)17-6-5-8-10(12(17)18)11(14)16-15-8/h1-6H,(H3,14,15,16)
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146033
PNG
(CHEMBL3763697)
Show SMILES CC(C)Cn1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-8(2)6-20-7-9(10-4-5-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h4-5,7-8H,6H2,1-3H3,(H3,15,16,17)
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n/an/a 390n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146029
PNG
(CHEMBL3764383)
Show SMILES CC(C)[C@@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50254869
PNG
(5-(2-chlorophenyl)-1H-indazol-3-amine | CHEMBL4988...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C13H10ClN3/c14-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(15)17-16-12/h1-7H,(H3,15,16,17)
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n/an/a 490n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146071
PNG
(CHEMBL3764463)
Show SMILES Nc1n[nH]c2c(cn(-c3ccccc3Cl)c(=O)c12)-c1ccccn1
Show InChI InChI=1S/C17H12ClN5O/c18-11-5-1-2-7-13(11)23-9-10(12-6-3-4-8-20-12)15-14(17(23)24)16(19)22-21-15/h1-9H,(H3,19,21,22)
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n/an/a 550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146034
PNG
(CHEMBL3764167)
Show SMILES CCC(C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-4-8(2)20-7-9(10-5-6-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h5-8H,4H2,1-3H3,(H3,15,16,17)
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n/an/a 650n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146074
PNG
(CHEMBL3763310)
Show SMILES OC(=O)Cc1cnc(Nc2n[nH]c3ccc(cc23)-c2ncccc2Cl)s1
Show InChI InChI=1S/C17H12ClN5O2S/c18-12-2-1-5-19-15(12)9-3-4-13-11(6-9)16(23-22-13)21-17-20-8-10(26-17)7-14(24)25/h1-6,8H,7H2,(H,24,25)(H2,20,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50254869
PNG
(5-(2-chlorophenyl)-1H-indazol-3-amine | CHEMBL4988...)
Show SMILES Nc1n[nH]c2ccc(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C13H10ClN3/c14-11-4-2-1-3-9(11)8-5-6-12-10(7-8)13(15)17-16-12/h1-7H,(H3,15,16,17)
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n/an/a 660n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146037
PNG
(CHEMBL3763833)
Show SMILES Cc1ccccc1-n1cc(-c2ccccc2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C19H16N4O/c1-12-7-5-6-10-15(12)23-11-14(13-8-3-2-4-9-13)17-16(19(23)24)18(20)22-21-17/h2-11H,1H3,(H3,20,21,22)
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n/an/a 770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146032
PNG
(CHEMBL3763184)
Show SMILES CCC(C(C)C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C16H22N6O/c1-5-12(9(2)3)22-8-10(11-6-7-21(4)20-11)14-13(16(22)23)15(17)19-18-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19)
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n/an/a 830n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146072
PNG
(CHEMBL3765131)
Show SMILES Cn1ccc(n1)-c1cn(-c2ccccc2Cl)c(=O)c2c(N)n[nH]c12
Show InChI InChI=1S/C16H13ClN6O/c1-22-7-6-11(21-22)9-8-23(12-5-3-2-4-10(12)17)16(24)13-14(9)19-20-15(13)18/h2-8H,1H3,(H3,18,19,20)
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n/an/a 910n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146074
PNG
(CHEMBL3763310)
Show SMILES OC(=O)Cc1cnc(Nc2n[nH]c3ccc(cc23)-c2ncccc2Cl)s1
Show InChI InChI=1S/C17H12ClN5O2S/c18-12-2-1-5-19-15(12)9-3-4-13-11(6-9)16(23-22-13)21-17-20-8-10(26-17)7-14(24)25/h1-6,8H,7H2,(H,24,25)(H2,20,21,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146033
PNG
(CHEMBL3763697)
Show SMILES CC(C)Cn1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C14H18N6O/c1-8(2)6-20-7-9(10-4-5-19(3)18-10)12-11(14(20)21)13(15)17-16-12/h4-5,7-8H,6H2,1-3H3,(H3,15,16,17)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146073
PNG
(CHEMBL3763289)
Show SMILES Nc1n[nH]c2ccn(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C12H9ClN4O/c13-7-3-1-2-4-9(7)17-6-5-8-10(12(17)18)11(14)16-15-8/h1-6H,(H3,14,15,16)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146036
PNG
(CHEMBL3763864)
Show SMILES Cc1ccccc1-n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C17H16N6O/c1-10-5-3-4-6-13(10)23-9-11(12-7-8-22(2)21-12)15-14(17(23)24)16(18)20-19-15/h3-9H,1-2H3,(H3,18,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146073
PNG
(CHEMBL3763289)
Show SMILES Nc1n[nH]c2ccn(-c3ccccc3Cl)c(=O)c12
Show InChI InChI=1S/C12H9ClN4O/c13-7-3-1-2-4-9(7)17-6-5-8-10(12(17)18)11(14)16-15-8/h1-6H,(H3,14,15,16)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146037
PNG
(CHEMBL3763833)
Show SMILES Cc1ccccc1-n1cc(-c2ccccc2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C19H16N4O/c1-12-7-5-6-10-15(12)23-11-14(13-8-3-2-4-9-13)17-16(19(23)24)18(20)22-21-17/h2-11H,1H3,(H3,20,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O |r|
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human PBMC assessed as reduction in GM-CSF-induced STAT5 phosphorylation preincubated for 5 mins followed by GM-CSF stimulation...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50146037
PNG
(CHEMBL3763833)
Show SMILES Cc1ccccc1-n1cc(-c2ccccc2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C19H16N4O/c1-12-7-5-6-10-15(12)23-11-14(13-8-3-2-4-9-13)17-16(19(23)24)18(20)22-21-17/h2-11H,1H3,(H3,20,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50146074
PNG
(CHEMBL3763310)
Show SMILES OC(=O)Cc1cnc(Nc2n[nH]c3ccc(cc23)-c2ncccc2Cl)s1
Show InChI InChI=1S/C17H12ClN5O2S/c18-12-2-1-5-19-15(12)9-3-4-13-11(6-9)16(23-22-13)21-17-20-8-10(26-17)7-14(24)25/h1-6,8H,7H2,(H,24,25)(H2,20,21,22,23)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50146032
PNG
(CHEMBL3763184)
Show SMILES CCC(C(C)C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C16H22N6O/c1-5-12(9(2)3)22-8-10(11-6-7-21(4)20-11)14-13(16(22)23)15(17)19-18-14/h6-9,12H,5H2,1-4H3,(H3,17,18,19)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IL-23-induced luciferase gene expression after 24 hrs

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146074
PNG
(CHEMBL3763310)
Show SMILES OC(=O)Cc1cnc(Nc2n[nH]c3ccc(cc23)-c2ncccc2Cl)s1
Show InChI InChI=1S/C17H12ClN5O2S/c18-12-2-1-5-19-15(12)9-3-4-13-11(6-9)16(23-22-13)21-17-20-8-10(26-17)7-14(24)25/h1-6,8H,7H2,(H,24,25)(H2,20,21,22,23)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50146037
PNG
(CHEMBL3763833)
Show SMILES Cc1ccccc1-n1cc(-c2ccccc2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C19H16N4O/c1-12-7-5-6-10-15(12)23-11-14(13-8-3-2-4-9-13)17-16(19(23)24)18(20)22-21-17/h2-11H,1H3,(H3,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent substrate phosphorylation after 45 min...

J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%