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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM50210260'   
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))
BDBM50210260
PNG
(CHEMBL3982857)
Show SMILES OC(=O)c1cccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)c1 |t:32|
Show InChI InChI=1S/C31H30N4O5/c36-30(37)24-7-4-8-26(18-24)32-13-16-40-29-10-9-27-19-25(29)21-39-15-2-1-14-38-20-22-5-3-6-23(17-22)28-11-12-33-31(34-27)35-28/h1-12,17-19,32H,13-16,20-21H2,(H,36,37)(H,33,34,35)/b2-1+
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n/an/a<39n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair