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5 similar compounds to monomer 50303044

Compile data set for download or QSAR
Wt: 352.3
BDBM50303043
Wt: 352.3
BDBM50303046
Wt: 364.3
BDBM50303051
Wt: 327.3
BDBM50303052
Wt: 313.3
BDBM50303053

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50303043,50303046,50303051,50303052,50303053   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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 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))
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))
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
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 JAK3


(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 1.57E+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 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
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
Transcription factor STAT5b (STAT5b)


(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/an/an/a 20n/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of erythropoietin-stimulated STAT5 expressed in human U2OS cells


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
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))
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))
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<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))
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<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 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 JAK3


(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>3.00E+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))
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 2.51E+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))
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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PubMed
n/an/a 2.69E+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))
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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PubMed
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))
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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PubMed
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