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Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 50030868   
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))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303042
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303051
PNG
((S)-5-(5-cyclopropyl-1H-pyrazol-3-ylamino)-3-(1-(5...)
Show SMILES C[C@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303052
PNG
((S)-N6-(1-(5-fluoropyridin-2-yl)ethyl)-3-methyl-N2...)
Show SMILES C[C@H](Nc1cnc(C)c(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1
Show InChI InChI=1/C16H18FN7/c1-9-6-14(24-23-9)21-16-11(3)18-8-15(22-16)20-10(2)13-5-4-12(17)7-19-13/h4-8,10H,1-3H3,(H3,20,21,22,23,24)/t10-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303053
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-methy...)
Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1
Show InChI InChI=1/C15H16FN7/c1-9-5-13(23-22-9)20-15-8-17-7-14(21-15)19-10(2)12-4-3-11(16)6-18-12/h3-8,10H,1-2H3,(H3,19,20,21,22,23)/t10-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303054
PNG
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)
Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/s2
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303054
PNG
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)
Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/s2
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303053
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-methy...)
Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1
Show InChI InChI=1/C15H16FN7/c1-9-5-13(23-22-9)20-15-8-17-7-14(21-15)19-10(2)12-4-3-11(16)6-18-12/h3-8,10H,1-2H3,(H3,19,20,21,22,23)/t10-/s2
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303050
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-metho...)
Show SMILES COc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
Show InChI InChI=1/C15H16FN7O/c1-9(11-4-3-10(16)6-18-11)19-13-7-17-8-14(21-13)20-12-5-15(24-2)23-22-12/h3-9H,1-2H3,(H3,19,20,21,22,23)/t9-/s2
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AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303041
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/s2
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n/an/a<3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303047
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethoxy)-6-methyl-5-...)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/s2
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303041
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/s2
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303050
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-metho...)
Show SMILES COc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
Show InChI InChI=1/C15H16FN7O/c1-9(11-4-3-10(16)6-18-11)19-13-7-17-8-14(21-13)20-12-5-15(24-2)23-22-12/h3-9H,1-2H3,(H3,19,20,21,22,23)/t9-/s2
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n/an/a 8n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303049
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-isopr...)
Show SMILES CC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
Show InChI InChI=1/C17H20FN7O/c1-10(2)26-17-6-14(24-25-17)22-16-9-19-8-15(23-16)21-11(3)13-5-4-12(18)7-20-13/h4-11H,1-3H3,(H3,21,22,23,24,25)/t11-/s2
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 11n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303052
PNG
((S)-N6-(1-(5-fluoropyridin-2-yl)ethyl)-3-methyl-N2...)
Show SMILES C[C@H](Nc1cnc(C)c(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1
Show InChI InChI=1/C16H18FN7/c1-9-6-14(24-23-9)21-16-11(3)18-8-15(22-16)20-10(2)13-5-4-12(17)7-19-13/h4-8,10H,1-3H3,(H3,20,21,22,23,24)/t10-/s2
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n/an/a 18n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303051
PNG
((S)-5-(5-cyclopropyl-1H-pyrazol-3-ylamino)-3-(1-(5...)
Show SMILES C[C@H](Nc1nc(Nc2cc(n[nH]2)C2CC2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C18H17FN8/c1-10(13-5-4-12(19)8-21-13)23-18-15(7-20)22-9-17(25-18)24-16-6-14(26-27-16)11-2-3-11/h4-6,8-11H,2-3H2,1H3,(H3,23,24,25,26,27)/t10-/s2
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303045
PNG
((R)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50303041
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/s2
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303046
PNG
((R)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 75n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303042
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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n/an/a 87n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303048
PNG
((R)-3-(1-(5-fluoropyridin-2-yl)ethoxy)-6-methyl-5-...)
Show SMILES C[C@@H](Oc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/s2
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n/an/a 108n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 2 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303047
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethoxy)-6-methyl-5-...)
Show SMILES C[C@H](Oc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/s2
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n/an/a 142n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 270n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50303042
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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n/an/a 410n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303049
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-isopr...)
Show SMILES CC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1
Show InChI InChI=1/C17H20FN7O/c1-10(2)26-17-6-14(24-25-17)22-16-9-19-8-15(23-16)21-11(3)13-5-4-12(18)7-20-13/h4-11H,1-3H3,(H3,21,22,23,24,25)/t11-/s2
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n/an/a 421n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 460n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50303043
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 580n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 670n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 680n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50303042
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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n/an/a 850n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303046
PNG
((R)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methy...)
Show SMILES C[C@@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H17FN8/c1-9-6-15(26-25-9)23-16-11(3)21-14(7-19)17(24-16)22-10(2)13-5-4-12(18)8-20-13/h4-6,8,10H,1-3H3,(H3,22,23,24,25,26)/t10-/s2
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n/an/a 907n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50303041
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/s2
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n/an/a 1.44E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50303042
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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n/an/a 1.48E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50303041
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/s2
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n/an/a 1.84E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303052
PNG
((S)-N6-(1-(5-fluoropyridin-2-yl)ethyl)-3-methyl-N2...)
Show SMILES C[C@H](Nc1cnc(C)c(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1
Show InChI InChI=1/C16H18FN7/c1-9-6-14(24-23-9)21-16-11(3)18-8-15(22-16)20-10(2)13-5-4-12(17)7-19-13/h4-8,10H,1-3H3,(H3,20,21,22,23,24)/t10-/s2
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n/an/a 3.66E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303048
PNG
((R)-3-(1-(5-fluoropyridin-2-yl)ethoxy)-6-methyl-5-...)
Show SMILES C[C@@H](Oc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C17H16FN7O/c1-9-6-15(25-24-9)22-16-10(2)21-14(7-19)17(23-16)26-11(3)13-5-4-12(18)8-20-13/h4-6,8,11H,1-3H3,(H2,22,23,24,25)/t11-/s2
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n/an/a 4.67E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303041
PNG
((S)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-5-(5-...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C15H14FN9/c1-8-3-12(25-24-8)22-13-7-18-11(4-17)15(23-13)21-9(2)14-19-5-10(16)6-20-14/h3,5-7,9H,1-2H3,(H3,21,22,23,24,25)/t9-/s2
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n/an/a 5.03E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 5.17E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303045
PNG
((R)-3-(1-(5-fluoropyrimidin-2-yl)ethylamino)-6-met...)
Show SMILES C[C@@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ncc(F)cn1
Show InChI InChI=1/C16H16FN9/c1-8-4-13(26-25-8)23-15-10(3)21-12(5-18)16(24-15)22-9(2)14-19-6-11(17)7-20-14/h4,6-7,9H,1-3H3,(H3,22,23,24,25,26)/t9-/s2
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n/an/a 1.04E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303053
PNG
((S)-N2-(1-(5-fluoropyridin-2-yl)ethyl)-N6-(5-methy...)
Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1
Show InChI InChI=1/C15H16FN7/c1-9-5-13(23-22-9)20-15-8-17-7-14(21-15)19-10(2)12-4-3-11(16)6-18-12/h3-8,10H,1-2H3,(H3,19,20,21,22,23)/t10-/s2
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n/an/a 1.17E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303044
PNG
((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...)
Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1
Show InChI InChI=1/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/s2
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n/an/a 1.28E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50303054
PNG
((S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-met...)
Show SMILES C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1
Show InChI InChI=1/C14H15FN8/c1-8-3-11(23-22-8)20-13-7-16-6-12(21-13)19-9(2)14-17-4-10(15)5-18-14/h3-7,9H,1-2H3,(H3,19,20,21,22,23)/t9-/s2
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n/an/a 1.37E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK3 using 5 mM ATP as a substrate


Bioorg Med Chem Lett 19: 6524-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.054
BindingDB Entry DOI: 10.7270/Q2CV4HT4
More data for this
Ligand-Target Pair
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