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BDBM50303054 (S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine::CHEMBL570899

SMILES: C[C@H](Nc1cncc(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1

InChI Key: InChIKey=KIMQVFJKYTXAFU-VIFPVBQESA-N

Data: 5 IC50

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 5 hits for monomerid = 50303054   
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))
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 |r|
Show InChI InChI=1S/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-/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 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 |r|
Show InChI InChI=1S/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-/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 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 |r|
Show InChI InChI=1S/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-/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 recombinant JAK2 kinase in presence of 5 mM ATP


Bioorg Med Chem Lett 20: 1669-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(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 |r|
Show InChI InChI=1S/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-/m0/s1
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n/an/a>3.20E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 20: 1669-73 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.091
BindingDB Entry DOI: 10.7270/Q2PV6KG1
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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