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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50303075'   
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))
BDBM50303075
PNG
((R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4...)
Show SMILES CCC[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN7/c1-2-4-15(13-5-7-14(21)8-6-13)26-17-11-16(24-12-25-17)18-19(22)27-28-10-3-9-23-20(18)28/h3,5-12,15H,2,4H2,1H3,(H2,22,27)(H,24,25,26)/t15-/m1/s1
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Article
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n/an/a 0.5n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2 by radiometric assay


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50303075
PNG
((R)-3-(6-(1-(4-fluorophenyl)butylamino)pyrimidin-4...)
Show SMILES CCC[C@@H](Nc1cc(ncn1)-c1c(N)nn2cccnc12)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN7/c1-2-4-15(13-5-7-14(21)8-6-13)26-17-11-16(24-12-25-17)18-19(22)27-28-10-3-9-23-20(18)28/h3,5-12,15H,2,4H2,1H3,(H2,22,27)(H,24,25,26)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of JAK2-mediated STAT5 phosphorylation in GMCSF-stimulated human TF1 cells


Bioorg Med Chem Lett 19: 6529-33 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.053
BindingDB Entry DOI: 10.7270/Q2SJ1MKQ
More data for this
Ligand-Target Pair