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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 = 'BDBM50449374'   
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))
BDBM50449374
PNG
(CHEMBL3126348)
Show SMILES Clc1cc(cc(Cl)c1Nc1nc2ccncc2c2c1cc[nH]c2=O)-c1cc[nH]n1
Show InChI InChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant Jak2 (unknown origin) using biotinylated synthetic peptide substrate by homogeneous time resolved fluorescence assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50449374
PNG
(CHEMBL3126348)
Show SMILES Clc1cc(cc(Cl)c1Nc1nc2ccncc2c2c1cc[nH]c2=O)-c1cc[nH]n1
Show InChI InChI=1S/C20H12Cl2N6O/c21-13-7-10(15-3-6-25-28-15)8-14(22)18(13)27-19-11-1-5-24-20(29)17(11)12-9-23-4-2-16(12)26-19/h1-9H,(H,24,29)(H,25,28)(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of Jak2 (unknown origin) assessed as inhibition of STAT5 phosphorylation by cell-based assay


Bioorg Med Chem Lett 24: 1466-71 (2014)


Article DOI: 10.1016/j.bmcl.2014.02.011
BindingDB Entry DOI: 10.7270/Q2D22034
More data for this
Ligand-Target Pair