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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 309.3
BDBM26198
Purchase
Wt: 341.3
BDBM50290834
Wt: 340.4
BDBM50396073
Purchase
Wt: 342.3
BDBM50419247
Wt: 326.3
BDBM50419250
Wt: 312.3
BDBM50419251
Wt: 326.3
BDBM50419253
Wt: 340.4
BDBM50419255
Wt: 342.3
BDBM50419256
Wt: 328.3
BDBM50419257
Wt: 340.4
BDBM50419258
Wt: 358.3
BDBM50419259
Wt: 326.3
BDBM50419260
Wt: 348.3
BDBM237209
Wt: 362.4
BDBM237210
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 110 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Tyk2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Jak 2


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine kinase 2 kinase


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
SYK tyrosine phosphorylation activity is measured using the LANCE Technology developed by Perkin Elmer Life and Analytical Sciences (Boston, Mass.). ...


US Patent US8952027 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9NV0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 4.5n/an/an/an/a7.530



University of Luxembourg



Assay Description
Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...


Chem Biol 18: 314-23 (2011)


Article DOI: 10.1016/j.chembiol.2011.01.012
BindingDB Entry DOI: 10.7270/Q2736PDR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5n/an/an/an/a7.522



Johnson & Johnson Pharmaceutical



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit JAK3 RTK activity. The compounds were incubated with enzyme, 10 uM ATP, and ...


J Med Chem 51: 7015-9 (2008)


Article DOI: 10.1021/jm800662z
BindingDB Entry DOI: 10.7270/Q2S75DP0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Jak 3


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Rigel, Inc.

Curated by ChEMBL


Assay Description
Inhibition of SYK in human mast cell cultures assessed as reduction in Anti-IgG-stimulated FcgammaR-mediated leukotriene LTC4 production by fluoresce...


J Med Chem 55: 3614-43 (2012)


Article DOI: 10.1021/jm201271b
BindingDB Entry DOI: 10.7270/Q2NZ88RC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5.20n/an/an/an/a7.530



University of Luxembourg



Assay Description
Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...


Chem Biol 18: 314-23 (2011)


Article DOI: 10.1016/j.chembiol.2011.01.012
BindingDB Entry DOI: 10.7270/Q2736PDR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 7n/an/an/an/a7.530



University of Luxembourg



Assay Description
Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...


Chem Biol 18: 314-23 (2011)


Article DOI: 10.1016/j.chembiol.2011.01.012
BindingDB Entry DOI: 10.7270/Q2736PDR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419258
PNG
(CHEMBL1835070)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419256
PNG
(CHEMBL1835065 | US9579320, Example 302)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 13n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Mus musculus)
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of mouse JAK1


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Mus musculus)
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of murine Jak 1 protein kinase


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50396073
PNG
(CHEMBL1235110)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419256
PNG
(CHEMBL1835065 | US9579320, Example 302)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
1536-Well TR-Fret uHTS assay PDK1-tide1 peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
384-Well TR-Fret assay using AKT-tide peptide substrate.


J Biol Chem 285: 18838-46 (2010)


Article DOI: 10.1074/jbc.M109.089946
BindingDB Entry DOI: 10.7270/Q2PV6J0B
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (human))
BDBM50290834
PNG
(4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline ...)
Show SMILES COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C19H19NO5/c1-21-16-6-5-12(9-17(16)22-2)25-15-7-8-20-14-11-19(24-4)18(23-3)10-13(14)15/h5-11H,1-4H3
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Platelet-derived growth factor receptor beta (PDGF beta-R)


Bioorg Med Chem Lett 7: 2935-2940 (1997)


Article DOI: 10.1016/S0960-894X(97)10117-2
BindingDB Entry DOI: 10.7270/Q20Z738R
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419247
PNG
(CHEMBL1835071 | US8470835, 1)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 32n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419247
PNG
(CHEMBL1835071 | US8470835, 1)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 40n/an/an/an/a7.425



Glaxo Group Limited

US Patent


Assay Description
Recombinant human Syk was express as a His-tagged protein. The activity of Syk was asses using a time-resolved fluorescence resonance entery transfe...


US Patent US8470835 (2013)


BindingDB Entry DOI: 10.7270/Q28S4NJK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 41n/an/an/an/a7.530



University of Luxembourg



Assay Description
Enzyme assay affinity-purified GST fusions of the active kinase domains (GST-Jak1(866-1154), GST-Jak2(808-1132), GST-Jak3(811-1124) and GST-Tyk2(888-...


Chem Biol 18: 314-23 (2011)


Article DOI: 10.1016/j.chembiol.2011.01.012
BindingDB Entry DOI: 10.7270/Q2736PDR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419256
PNG
(CHEMBL1835065 | US9579320, Example 302)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O2/c1-10-3-2-4-11(7-10)21-16-12(15(19)24)8-20-17(23-16)22-14-5-6-25-9-13(14)18/h2-4,7-8,13-14H,5-6,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 55n/an/an/an/a7.525



Portola Pharmaceuticals, Inc.

US Patent


Assay Description
Potency of candidate molecules for inhibiting syk tyrosine phosphorylation activity is assessed by measuring the ability of a test compound to inhibi...


US Patent US9579320 (2017)

More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Mus musculus (mouse))
BDBM50290834
PNG
(4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline ...)
Show SMILES COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C19H19NO5/c1-21-16-6-5-12(9-17(16)22-2)25-15-7-8-20-14-11-19(24-4)18(23-3)10-13(14)15/h5-11H,1-4H3
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n/an/a 70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of platelet-derived growth factor receptor (PDGF-R) in human aortic smooth muscle cells


Bioorg Med Chem Lett 7: 2935-2940 (1997)


Article DOI: 10.1016/S0960-894X(97)10117-2
BindingDB Entry DOI: 10.7270/Q20Z738R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419247
PNG
(CHEMBL1835071 | US8470835, 1)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C17H22N6O2/c1-10-2-4-11(5-3-10)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-25-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419258
PNG
(CHEMBL1835070)
Show SMILES Cc1ccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C18H24N6O/c1-11-6-8-12(9-7-11)22-17-13(16(20)25)10-21-18(24-17)23-15-5-3-2-4-14(15)19/h6-10,14-15H,2-5,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419255
PNG
(CHEMBL1835064)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419260
PNG
(CHEMBL1834758)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419253
PNG
(CHEMBL1835061)
Show SMILES Cc1cccc(Nc2nc(NC[C@@H]3CCCN3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)22-16-14(15(18)24)10-21-17(23-16)20-9-13-6-3-7-19-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419259
PNG
(CHEMBL1835072)
Show SMILES COc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C17H22N6O3/c1-25-11-4-2-10(3-5-11)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-26-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419250
PNG
(CHEMBL1834757)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m1/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419260
PNG
(CHEMBL1834758)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419259
PNG
(CHEMBL1835072)
Show SMILES COc1ccc(Nc2nc(N[C@@H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1
Show InChI InChI=1S/C17H22N6O3/c1-25-11-4-2-10(3-5-11)21-16-12(15(19)24)8-20-17(23-16)22-14-6-7-26-9-13(14)18/h2-5,8,13-14H,6-7,9,18H2,1H3,(H2,19,24)(H2,20,21,22,23)/t13-,14+/m0/s1
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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM50290834
PNG
(4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline ...)
Show SMILES COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C19H19NO5/c1-21-16-6-5-12(9-17(16)22-2)25-15-7-8-20-14-11-19(24-4)18(23-3)10-13(14)15/h5-11H,1-4H3
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n/an/a 130n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PDGF-BB induced PDGF-B receptor autophosphorylation in rat mesangial cells.


Bioorg Med Chem Lett 7: 2935-2940 (1997)


Article DOI: 10.1016/S0960-894X(97)10117-2
BindingDB Entry DOI: 10.7270/Q20Z738R
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50290834
PNG
(4-(3,4-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline ...)
Show SMILES COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C19H19NO5/c1-21-16-6-5-12(9-17(16)22-2)25-15-7-8-20-14-11-19(24-4)18(23-3)10-13(14)15/h5-11H,1-4H3
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n/an/a 150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of epidermal growth factor receptor (EGF-R) in A431 cells.


Bioorg Med Chem Lett 7: 2935-2940 (1997)


Article DOI: 10.1016/S0960-894X(97)10117-2
BindingDB Entry DOI: 10.7270/Q20Z738R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419250
PNG
(CHEMBL1834757)
Show SMILES Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase; MEK1/2


(Homo sapiens-Homo sapiens (human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mitogen-activated protein kinase ERK


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419253
PNG
(CHEMBL1835061)
Show SMILES Cc1cccc(Nc2nc(NC[C@@H]3CCCN3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)22-16-14(15(18)24)10-21-17(23-16)20-9-13-6-3-7-19-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of I-kappa-B kinase 2


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase; ERK1/ERK2


(Homo sapiens (human)-Homo sapiens (Human))
BDBM50419255
PNG
(CHEMBL1835064)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCC[C@H]3N)ncc2C(N)=O)c1
Show InChI InChI=1S/C18H24N6O/c1-11-5-4-6-12(9-11)22-17-13(16(20)25)10-21-18(24-17)23-15-8-3-2-7-14(15)19/h4-6,9-10,14-15H,2-3,7-8,19H2,1H3,(H2,20,25)(H2,21,22,23,24)/t14-,15+/m1/s1
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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of Erk1/2 phosphorylation expressed in ramos cells after 30 mins by MSD assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50419260
PNG
(CHEMBL1834758)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flag-6His-Thr-tagged Aurora B assessed as phosphorylation of 5FAM-PKA-tide substrate after 150 mins by fuorescence po...


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (human))
BDBM50419251
PNG
(CHEMBL1835058)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m0/s1
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human full-length recombinant 6His-SYK assessed as phosphorylation of Biotin-AAAEEIYGEI substrate after 60 mins by by TR-FRET assay


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of protein kinase Fyn


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Vascular endothelial growth factor receptor 3


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50419251
PNG
(CHEMBL1835058)
Show SMILES Cc1cccc(Nc2nc(N[C@H]3CCNC3)ncc2C(N)=O)c1
Show InChI InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m0/s1
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flag-6His-Thr-tagged Aurora B assessed as phosphorylation of 5FAM-PKA-tide substrate after 150 mins by fuorescence po...


Bioorg Med Chem Lett 21: 6188-94 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.082
BindingDB Entry DOI: 10.7270/Q2XD12ZW
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 940n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitin of Fibroblast growth factor receptor 2


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
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