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PubMed code 20172718

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM50182010
PNG
(7-(pyridin-2-yl)-N-(2,4,6-trimethoxyphenyl)-7H-pyr...)
Show SMILES COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC
Show InChI InChI=1S/C20H19N5O3/c1-26-15-10-14(11-16(27-2)18(15)28-3)23-20-22-12-13-7-9-25(19(13)24-20)17-6-4-5-8-21-17/h4-12H,1-3H3,(H,22,23,24)
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Article
PubMed
n/an/a 5.90n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shift assay


Bioorg Med Chem Lett 20: 1858-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.151
BindingDB Entry DOI: 10.7270/Q2PR7W4M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50312975
PNG
(7-phenyl-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-...)
Show SMILES COc1cc(Nc2nc3cccc(-c4ccccc4)c3o2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O4/c1-25-18-12-15(13-19(26-2)21(18)27-3)23-22-24-17-11-7-10-16(20(17)28-22)14-8-5-4-6-9-14/h4-13H,1-3H3,(H,23,24)
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shift assay


Bioorg Med Chem Lett 20: 1858-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.151
BindingDB Entry DOI: 10.7270/Q2PR7W4M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50313807
PNG
(CHEMBL1093749 | N-methyl-4-(3-(3,4,5-trimethoxyphe...)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cccc2ncc(nc12)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C24H23N3O5S/c1-25-33(28,29)17-10-8-15(9-11-17)18-6-5-7-19-23(18)27-20(14-26-19)16-12-21(30-2)24(32-4)22(13-16)31-3/h5-14,25H,1-4H3
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Article
PubMed
n/an/a 42n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant GST tagged JAK2 after 60 mins by Caliper mobility shift assay


Bioorg Med Chem Lett 20: 1858-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.151
BindingDB Entry DOI: 10.7270/Q2PR7W4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%