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BDBM50303043 (S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-6-methyl-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile::CHEMBL578201

SMILES: C[C@H](Nc1nc(Nc2cc(C)n[nH]2)c(C)nc1C#N)c1ccc(F)cn1

InChI Key: InChIKey=FLYNZEXUURBXAW-JTQLQIEISA-N

Data: 9 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50303043   
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))
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=1S/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-/m0/s1
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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))
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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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
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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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MMDB

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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=1S/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-/m0/s1
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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))
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=1S/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-/m0/s1
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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
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=1S/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-/m0/s1
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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