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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 = 'BDBM174036'   
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))
BDBM174036
PNG
(US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...)
Show SMILES CCc1ccc(cc1-c1c(cc(-c2cc(NC)ncn2)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;.46,-7.93,;-1.03,-8.33,;-1.43,-9.82,;-2.91,-10.22,;-2.12,-7.24,;-1.72,-5.75,;-.23,-5.35,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)|
Show InChI InChI=1S/C20H20F3N5O/c1-4-11-5-6-12(20(21,22)23)7-13(11)18-14(19(24)29)8-16(28(18)3)15-9-17(25-2)27-10-26-15/h5-10H,4H2,1-3H3,(H2,24,29)(H,25,26,27)
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US Patent
n/an/a 4n/an/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...


US Patent US9688661 (2017)


BindingDB Entry DOI: 10.7270/Q2K35RTP
More data for this
Ligand-Target Pair