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Compile Data Set for Download or QSAR

Found 247 hits with Last Name = 'hofmann' and Initial = 'f'   
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))
BDBM50312986
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C28H28F2N4O3/c1-17-13-19(7-8-20(17)27(35)33(2)3)31-28-32-25-6-4-5-21(26(25)37-28)18-14-23(29)22(24(30)15-18)16-34-9-11-36-12-10-34/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312989
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312980
PNG
(CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312987
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312978
PNG
(7-(quinolin-6-yl)-N-(3,4,5-trimethoxyphenyl)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C25H21N3O4/c1-29-21-13-17(14-22(30-2)24(21)31-3)27-25-28-20-8-4-7-18(23(20)32-25)15-9-10-19-16(12-15)6-5-11-26-19/h4-14H,1-3H3,(H,27,28)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312988
PNG
((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1
Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312985
PNG
(CHEMBL1081664 | N,N,2-trimethyl-4-(7-(4-(morpholin...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1C
Show InChI InChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312983
PNG
(7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxy...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)
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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 GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2


Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312982
PNG
((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H26FN3O6/c1-33-22-14-17(15-23(34-2)25(22)35-3)29-27-30-21-6-4-5-18(24(21)37-27)16-7-8-19(20(28)13-16)26(32)31-9-11-36-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,29,30)
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n/an/a 22n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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n/an/a 27.5n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312989
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)
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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 GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/a 37n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 2


Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312984
PNG
(CHEMBL1081663 | N,N-dimethyl-4-(7-(4-(morpholine-4...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1
Show InChI InChI=1S/C27H26N4O4/c1-30(2)25(32)19-10-12-21(13-11-19)28-27-29-23-5-3-4-22(24(23)35-27)18-6-8-20(9-7-18)26(33)31-14-16-34-17-15-31/h3-13H,14-17H2,1-2H3,(H,28,29)
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n/an/a 39n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312980
PNG
(CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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n/an/a 47n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312987
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4853
PNG
(1-(4-Chlorophenoxy)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Clc1ccc(Oc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H14ClN3O/c21-15-5-7-16(8-6-15)25-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-22-12-10-14/h1-12H,13H2
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4870
PNG
(1-Anilino-4-(4-pyridylmethyl)phthalazine Dihydroch...)
Show SMILES C(c1ccncc1)c1nnc(Nc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H16N4/c1-2-6-16(7-3-1)22-20-18-9-5-4-8-17(18)19(23-24-20)14-15-10-12-21-13-11-15/h1-13H,14H2,(H,22,24)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312982
PNG
((2-fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(F)c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H26FN3O6/c1-33-22-14-17(15-23(34-2)25(22)35-3)29-27-30-21-6-4-5-18(24(21)37-27)16-7-8-19(20(28)13-16)26(32)31-9-11-36-12-10-31/h4-8,13-15H,9-12H2,1-3H3,(H,29,30)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312988
PNG
((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1
Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4876
PNG
(1-(3,4-Dichloroanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
Show InChI InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4854
PNG
(1-(4-Chlorophenylsulfanyl)-4-(4-pyridylmethyl)phth...)
Show SMILES Clc1ccc(Sc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H14ClN3S/c21-15-5-7-16(8-6-15)25-20-18-4-2-1-3-17(18)19(23-24-20)13-14-9-11-22-12-10-14/h1-12H,13H2
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 1


Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4871
PNG
(1-(3-Methylanilino)-4-(4-pyridylmethyl)phthalazine...)
Show SMILES Cc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C21H18N4/c1-15-5-4-6-17(13-15)23-21-19-8-3-2-7-18(19)20(24-25-21)14-16-9-11-22-12-10-16/h2-13H,14H2,1H3,(H,23,25)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4875
PNG
(1-(3-Hydroxyanilino)-4-(4-pyridylmethyl)phthalazin...)
Show SMILES Oc1cccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C20H16N4O/c25-16-5-3-4-15(13-16)22-20-18-7-2-1-6-17(18)19(23-24-20)12-14-8-10-21-11-9-14/h1-11,13,25H,12H2,(H,22,24)
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Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312983
PNG
(7-(4-(morpholinomethyl)phenyl)-N-(3,4,5-trimethoxy...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(CN5CCOCC5)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H29N3O5/c1-31-23-15-20(16-24(32-2)26(23)33-3)28-27-29-22-6-4-5-21(25(22)35-27)19-9-7-18(8-10-19)17-30-11-13-34-14-12-30/h4-10,15-16H,11-14,17H2,1-3H3,(H,28,29)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312989
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)CCCNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C31H35F2N5O3/c1-20-16-22(8-9-23(20)30(39)34-10-5-11-37(2)3)35-31-36-28-7-4-6-24(29(28)41-31)21-17-26(32)25(27(33)18-21)19-38-12-14-40-15-13-38/h4,6-9,16-18H,5,10-15,19H2,1-3H3,(H,34,39)(H,35,36)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312974
PNG
(7-(pyridin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzo[d...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C21H19N3O4/c1-25-17-11-13(12-18(26-2)20(17)27-3)23-21-24-16-9-6-7-14(19(16)28-21)15-8-4-5-10-22-15/h4-12H,1-3H3,(H,23,24)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312981
PNG
(CHEMBL1081978 | morpholino(4-(2-(3,4,5-trimethoxyp...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-32-22-15-19(16-23(33-2)25(22)34-3)28-27-29-21-6-4-5-20(24(21)36-27)17-7-9-18(10-8-17)26(31)30-11-13-35-14-12-30/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312987
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CNC(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C27H26F2N4O3/c1-16-12-18(6-7-19(16)26(34)30-2)31-27-32-24-5-3-4-20(25(24)36-27)17-13-22(28)21(23(29)14-17)15-33-8-10-35-11-9-33/h3-7,12-14H,8-11,15H2,1-2H3,(H,30,34)(H,31,32)
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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 GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4867
PNG
(CGP79787 Analog 50 | CHEMBL75077 | N-(4-chlorophen...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-3-5-15(6-4-14)23-19-16-2-1-9-22-18(16)17(24-25-19)12-13-7-10-21-11-8-13/h1-11H,12H2,(H,23,25)
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n/an/a 130n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50312980
PNG
(CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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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 GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312985
PNG
(CHEMBL1081664 | N,N,2-trimethyl-4-(7-(4-(morpholin...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1C
Show InChI InChI=1S/C28H28N4O4/c1-18-17-21(11-12-22(18)27(34)31(2)3)29-28-30-24-6-4-5-23(25(24)36-28)19-7-9-20(10-8-19)26(33)32-13-15-35-16-14-32/h4-12,17H,13-16H2,1-3H3,(H,29,30)
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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 GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312986
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C28H28F2N4O3/c1-17-13-19(7-8-20(17)27(35)33(2)3)31-28-32-25-6-4-5-21(26(25)37-28)18-14-23(29)22(24(30)15-18)16-34-9-11-36-12-10-34/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,32)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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n/an/a 140n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312979
PNG
(CHEMBL1081976 | N-(3-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4cccc(NS(C)(=O)=O)c4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-10-6-9-17(21(18)32-23)14-7-5-8-15(11-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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n/an/a 150n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK2 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM4878
PNG
(1-(3,5-Dimethylanilino)-4-(4-pyridylmethyl)phthala...)
Show SMILES Cc1cc(C)cc(Nc2nnc(Cc3ccncc3)c3ccccc23)c1
Show InChI InChI=1S/C22H20N4/c1-15-11-16(2)13-18(12-15)24-22-20-6-4-3-5-19(20)21(25-26-22)14-17-7-9-23-10-8-17/h3-13H,14H2,1-2H3,(H,24,26)
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n/an/a 150n/an/an/an/an/an/a



Novartis Pharmaceuticals



Assay Description
The in vitro kinase assays were performed in 96-well plates using the recombinant GST-fused kinase domains expressed in baculovirus and purified over...


J Med Chem 43: 2310-23 (2000)


Article DOI: 10.1021/jm060561m
BindingDB Entry DOI: 10.7270/Q24M92R5
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50312980
PNG
(CHEMBL1081977 | N-(4-(2-(3,4,5-trimethoxyphenylami...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccc(NS(C)(=O)=O)cc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C23H23N3O6S/c1-29-19-12-16(13-20(30-2)22(19)31-3)24-23-25-18-7-5-6-17(21(18)32-23)14-8-10-15(11-9-14)26-33(4,27)28/h5-13,26H,1-4H3,(H,24,25)
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Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TYK2 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50312986
PNG
(4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benz...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)cc1C
Show InChI InChI=1S/C28H28F2N4O3/c1-17-13-19(7-8-20(17)27(35)33(2)3)31-28-32-25-6-4-5-21(26(25)37-28)18-14-23(29)22(24(30)15-18)16-34-9-11-36-12-10-34/h4-8,13-15H,9-12,16H2,1-3H3,(H,31,32)
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n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50312988
PNG
((2-methyl-4-(2-(4-(4-methylpiperazin-1-yl)phenylam...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3o2)cc1
Show InChI InChI=1S/C30H33N5O3/c1-21-20-22(6-11-25(21)29(36)35-16-18-37-19-17-35)26-4-3-5-27-28(26)38-30(32-27)31-23-7-9-24(10-8-23)34-14-12-33(2)13-15-34/h3-11,20H,12-19H2,1-2H3,(H,31,32)
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n/an/a 170n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK3 assessed as inhibition of biotinylated JAK3tide peptide phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50132151
PNG
(CHEMBL101683 | N-(4-Chloro-phenyl)-2-[(pyridin-4-y...)
Show SMILES Clc1ccc(NC(=O)c2ccccc2NCc2ccncc2)cc1
Show InChI InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
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n/an/a 180n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of vascular endothelial growth factor receptor 1


Bioorg Med Chem Lett 13: 2967-71 (2003)


BindingDB Entry DOI: 10.7270/Q2Q81CG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50312984
PNG
(CHEMBL1081663 | N,N-dimethyl-4-(7-(4-(morpholine-4...)
Show SMILES CN(C)C(=O)c1ccc(Nc2nc3cccc(-c4ccc(cc4)C(=O)N4CCOCC4)c3o2)cc1
Show InChI InChI=1S/C27H26N4O4/c1-30(2)25(32)19-10-12-21(13-11-19)28-27-29-23-5-3-4-22(24(23)35-27)18-6-8-20(9-7-18)26(33)31-14-16-34-17-15-31/h3-13H,14-17H2,1-2H3,(H,28,29)
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n/an/a 180n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged JAK1 assessed as inhibition of biotinylated IRS1 substrate phosphorylation after 60 mins by caliper mobility shift assay


Bioorg Med Chem Lett 20: 1724-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.069
BindingDB Entry DOI: 10.7270/Q2M32VW0
More data for this
Ligand-Target Pair
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