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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 = 'BDBM50303073'   
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))
BDBM50303073
PNG
(3-(6-(2-(4-fluorophenyl)pyrrolidin-1-yl)pyrimidin-...)
Show SMILES Nc1nn2cccnc2c1-c1cc(ncn1)N1CCCC1c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN7/c21-14-6-4-13(5-7-14)16-3-1-9-27(16)17-11-15(24-12-25-17)18-19(22)26-28-10-2-8-23-20(18)28/h2,4-8,10-12,16H,1,3,9H2,(H2,22,26)
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Article
PubMed
n/an/a 3.40n/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))
BDBM50303073
PNG
(3-(6-(2-(4-fluorophenyl)pyrrolidin-1-yl)pyrimidin-...)
Show SMILES Nc1nn2cccnc2c1-c1cc(ncn1)N1CCCC1c1ccc(F)cc1
Show InChI InChI=1S/C20H18FN7/c21-14-6-4-13(5-7-14)16-3-1-9-27(16)17-11-15(24-12-25-17)18-19(22)26-28-10-2-8-23-20(18)28/h2,4-8,10-12,16H,1,3,9H2,(H2,22,26)
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>2.00E+4n/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