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BDBM50303052 (S)-N6-(1-(5-fluoropyridin-2-yl)ethyl)-3-methyl-N2-(5-methyl-1H-pyrazol-3-yl)pyrazine-2,6-diamine::CHEMBL576068

SMILES: C[C@H](Nc1cnc(C)c(Nc2cc(C)n[nH]2)n1)c1ccc(F)cn1

InChI Key: InChIKey=OGOUUWVUPLCXQA-JTQLQIEISA-N

Data: 3 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 3 hits for monomerid = 50303052   
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))
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 |r|
Show InChI InChI=1S/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-/m0/s1
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PC cid
PC sid
UniChem
Article
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
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 |r|
Show InChI InChI=1S/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-/m0/s1
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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 |r|
Show InChI InChI=1S/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-/m0/s1
PDB

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PC cid
PC sid
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Article
PubMed
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