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PubMed code 20231096

Compile data set for download or QSAR
Found 81 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315236
PNG
((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 3.10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315237
PNG
(4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 4.30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315240
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 5.10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315238
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 6.80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315233
PNG
((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3
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n/an/a 7.10n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315231
PNG
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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n/an/a 7.30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315235
PNG
((4-(8-(3-fluoro-4-(morpholinomethyl)phenyl)quinoxa...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H31FN4O3/c1-21-17-23(7-8-25(21)31(37)36-11-15-39-16-12-36)29-19-33-28-4-2-3-26(30(28)34-29)22-5-6-24(27(32)18-22)20-35-9-13-38-14-10-35/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 12.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315239
PNG
(1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315241
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315248
PNG
(4-(2-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315247
PNG
((2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315237
PNG
(4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315240
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 35n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50313807
PNG
(CHEMBL1093749 | N-methyl-4-(3-(3,4,5-trimethoxyphe...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
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n/an/a 42n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315236
PNG
((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315244
PNG
(CHEMBL1091565 | morpholino(4-(3-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)c2n1
Show InChI InChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3
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n/an/a 72n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))		BDBM50315231
PNG
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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n/an/a 80n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of ABL

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315238
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 82n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315238
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 86n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315233
PNG
((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3
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n/an/a 89n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315239
PNG
(1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 91n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315237
PNG
(4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 94n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315241
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 98n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315243
PNG
(2-(4-(7-fluoro-3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(F)cc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H28FN3O5/c1-35-25-13-20(14-26(36-2)29(25)37-3)24-17-31-23-16-21(30)15-22(28(23)32-24)19-6-4-18(5-7-19)12-27(34)33-8-10-38-11-9-33/h4-7,13-17H,8-12H2,1-3H3
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n/an/a 101n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315245
PNG
(4-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)be...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315236
PNG
((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50313807
PNG
(CHEMBL1093749 | N-methyl-4-(3-(3,4,5-trimethoxyphe...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315236
PNG
((4-(8-(3,5-difluoro-4-(morpholinomethyl)phenyl)qui...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H30F2N4O3/c1-20-15-21(5-6-23(20)31(38)37-9-13-40-14-10-37)29-18-34-28-4-2-3-24(30(28)35-29)22-16-26(32)25(27(33)17-22)19-36-7-11-39-12-8-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315237
PNG
(4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 166n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315235
PNG
((4-(8-(3-fluoro-4-(morpholinomethyl)phenyl)quinoxa...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H31FN4O3/c1-21-17-23(7-8-25(21)31(37)36-11-15-39-16-12-36)29-19-33-28-4-2-3-26(30(28)34-29)22-5-6-24(27(32)18-22)20-35-9-13-38-14-10-35/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315246
PNG
(4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 195n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315238
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnc2cccc(-c3cc(F)c(CN4CCS(=O)(=O)CC4)c(F)c3)c2n1
Show InChI InChI=1S/C29H30F2N6O2S/c1-35-7-9-37(10-8-35)28-6-5-20(17-33-28)27-18-32-26-4-2-3-22(29(26)34-27)21-15-24(30)23(25(31)16-21)19-36-11-13-40(38,39)14-12-36/h2-6,15-18H,7-14,19H2,1H3
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n/an/a 230n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315233
PNG
((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3
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n/an/a 232n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315248
PNG
(4-(2-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 250n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315240
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315231
PNG
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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n/an/a 303n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315233
PNG
((4-{8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylm...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1C)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3
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n/an/a 330n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315240
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O6S/c1-36-25-16-21(17-26(37-2)29(25)38-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-39(34,35)14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 340n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315241
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 360n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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n/an/a 362n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315231
PNG
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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n/an/a 384n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315244
PNG
(CHEMBL1091565 | morpholino(4-(3-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)c2n1
Show InChI InChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3
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n/an/a 390n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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n/an/a 408n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315234
PNG
((2-methyl-4-(8-(3-methyl-4-(morpholinomethyl)pheny...)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cccc2ncc(nc12)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C32H34N4O3/c1-22-18-24(6-7-26(22)21-35-10-14-38-15-11-35)28-4-3-5-29-31(28)34-30(20-33-29)25-8-9-27(23(2)19-25)32(37)36-12-16-39-17-13-36/h3-9,18-20H,10-17,21H2,1-2H3
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n/an/a 439n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315247
PNG
((2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
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n/an/a 460n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315232
PNG
(4-(3-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3F)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-19(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)20-8-7-18(13-22(20)29)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 501n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315241
PNG
(8-[4-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-ylmethy...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O5S/c1-34-25-15-21(16-26(35-2)28(25)36-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-37(32,33)14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 520n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315235
PNG
((4-(8-(3-fluoro-4-(morpholinomethyl)phenyl)quinoxa...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H31FN4O3/c1-21-17-23(7-8-25(21)31(37)36-11-15-39-16-12-36)29-19-33-28-4-2-3-26(30(28)34-29)22-5-6-24(27(32)18-22)20-35-9-13-38-14-10-35/h2-8,17-19H,9-16,20H2,1H3
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n/an/a 520n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315231
PNG
(4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...)
Show SMILES Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C27H28F2N6O/c28-23-12-18(13-24(29)22(23)17-34-8-10-36-11-9-34)21-2-1-3-25-27(21)33-26(15-31-25)19-14-32-35(16-19)20-4-6-30-7-5-20/h1-3,12-16,20,30H,4-11,17H2
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315235
PNG
((4-(8-(3-fluoro-4-(morpholinomethyl)phenyl)quinoxa...)
Show SMILES Cc1cc(ccc1C(=O)N1CCOCC1)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C31H31FN4O3/c1-21-17-23(7-8-25(21)31(37)36-11-15-39-16-12-36)29-19-33-28-4-2-3-26(30(28)34-29)22-5-6-24(27(32)18-22)20-35-9-13-38-14-10-35/h2-8,17-19H,9-16,20H2,1H3
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50313807
PNG
(CHEMBL1093749 | N-methyl-4-(3-(3,4,5-trimethoxyphe...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
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n/an/a 640n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315239
PNG
(1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 640n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315249
PNG
(4-(3-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3C)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 685n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315243
PNG
(2-(4-(7-fluoro-3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(F)cc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H28FN3O5/c1-35-25-13-20(14-26(36-2)29(25)37-3)24-17-31-23-16-21(30)15-22(28(23)32-24)19-6-4-18(5-7-19)12-27(34)33-8-10-38-11-9-33/h4-7,13-17H,8-12H2,1-3H3
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n/an/a 940n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315249
PNG
(4-(3-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3C)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50313807
PNG
(CHEMBL1093749 | N-methyl-4-(3-(3,4,5-trimethoxyphe...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315239
PNG
(1-morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quino...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315247
PNG
((2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315245
PNG
(4-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)be...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315247
PNG
((2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(C(=O)N4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315246
PNG
(4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315248
PNG
(4-(2-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315244
PNG
(CHEMBL1091565 | morpholino(4-(3-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)c2n1
Show InChI InChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315249
PNG
(4-(3-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3C)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315244
PNG
(CHEMBL1091565 | morpholino(4-(3-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(cc3)C(=O)N3CCOCC3)c2n1
Show InChI InChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315249
PNG
(4-(3-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3C)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))		BDBM50315242
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(C)cc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C30H31N3O6S/c1-19-13-23(21-7-5-20(6-8-21)15-28(34)33-9-11-40(35,36)12-10-33)29-24(14-19)31-18-25(32-29)22-16-26(37-2)30(39-4)27(17-22)38-3/h5-8,13-14,16-18H,9-12,15H2,1-4H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315232
PNG
(4-(3-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3F)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-19(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)20-8-7-18(13-22(20)29)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 4.70E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315248
PNG
(4-(2-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(F)c3)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-20(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)18-7-8-19(22(29)13-18)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315246
PNG
(4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 7.13E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315246
PNG
(4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1
Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315232
PNG
(4-(3-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3F)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-19(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)20-8-7-18(13-22(20)29)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315232
PNG
(4-(3-fluoro-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3F)c2n1
Show InChI InChI=1S/C28H28FN3O4/c1-33-25-14-19(15-26(34-2)28(25)35-3)24-16-30-23-6-4-5-21(27(23)31-24)20-8-7-18(13-22(20)29)17-32-9-11-36-12-10-32/h4-8,13-16H,9-12,17H2,1-3H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315243
PNG
(2-(4-(7-fluoro-3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(F)cc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H28FN3O5/c1-35-25-13-20(14-26(36-2)29(25)37-3)24-17-31-23-16-21(30)15-22(28(23)32-24)19-6-4-18(5-7-19)12-27(34)33-8-10-38-11-9-33/h4-7,13-17H,8-12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315245
PNG
(4-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)be...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315243
PNG
(2-(4-(7-fluoro-3-(3,4,5-trimethoxyphenyl)quinoxali...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(F)cc(-c3ccc(CC(=O)N4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C29H28FN3O5/c1-35-25-13-20(14-26(36-2)29(25)37-3)24-17-31-23-16-21(30)15-22(28(23)32-24)19-6-4-18(5-7-19)12-27(34)33-8-10-38-11-9-33/h4-7,13-17H,8-12H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315245
PNG
(4-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)be...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)cc3)c2n1
Show InChI InChI=1S/C28H29N3O4/c1-32-25-15-21(16-26(33-2)28(25)34-3)24-17-29-23-6-4-5-22(27(23)30-24)20-9-7-19(8-10-20)18-31-11-13-35-14-12-31/h4-10,15-17H,11-14,18H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM50315242
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(C)cc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C30H31N3O6S/c1-19-13-23(21-7-5-20(6-8-21)15-28(34)33-9-11-40(35,36)12-10-33)29-24(14-19)31-18-25(32-29)22-16-26(37-2)30(39-4)27(17-22)38-3/h5-8,13-14,16-18H,9-12,15H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))		BDBM50315242
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(C)cc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C30H31N3O6S/c1-19-13-23(21-7-5-20(6-8-21)15-28(34)33-9-11-40(35,36)12-10-33)29-24(14-19)31-18-25(32-29)22-16-26(37-2)30(39-4)27(17-22)38-3/h5-8,13-14,16-18H,9-12,15H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50315242
PNG
(1-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-2-{4-[...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cc(C)cc(-c3ccc(CC(=O)N4CCS(=O)(=O)CC4)cc3)c2n1
Show InChI InChI=1S/C30H31N3O6S/c1-19-13-23(21-7-5-20(6-8-21)15-28(34)33-9-11-40(35,36)12-10-33)29-24(14-19)31-18-25(32-29)22-16-26(37-2)30(39-4)27(17-22)38-3/h5-8,13-14,16-18H,9-12,15H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate

Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%