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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 = 'BDBM50449375'   
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))
BDBM50449375
PNG
(CHEMBL3126347)
Show SMILES CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.5n/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))
BDBM50449375
PNG
(CHEMBL3126347)
Show SMILES CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c2cc[nH]c3=O)c(Cl)c1
Show InChI InChI=1S/C20H16Cl2N4O2/c1-20(2,28)10-7-13(21)17(14(22)8-10)26-18-11-3-6-24-19(27)16(11)12-9-23-5-4-15(12)25-18/h3-9,28H,1-2H3,(H,24,27)(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/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