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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50402418'   
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))
BDBM50402418
PNG
(CHEMBL2208023)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
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PC cid
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n/an/a 12.8n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50402418
PNG
(CHEMBL2208023)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
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PC cid
PC sid
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n/an/a 27n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for 20 mins followed by [gamma33P]ATP addition measured after 120 mins by...


Eur J Med Chem 158: 593-619 (2018)


Article DOI: 10.1016/j.ejmech.2018.09.024
BindingDB Entry DOI: 10.7270/Q2Z3229Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50402418
PNG
(CHEMBL2208023)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
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PC cid
PC sid
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PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphorylation


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50402418
PNG
(CHEMBL2208023)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccccc2)n1
Show InChI InChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.97E+3n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphorylation


Bioorg Med Chem Lett 22: 7653-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.007
BindingDB Entry DOI: 10.7270/Q2PZ59ZN
More data for this
Ligand-Target Pair