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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 = 'BDBM50313807'   
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))
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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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)
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

PDB
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 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate


Bioorg Med Chem Lett 20: 2609-13 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.056
BindingDB Entry DOI: 10.7270/Q2862GKB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)