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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 = 'BDBM174032'   
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))
BDBM174032
PNG
(US9688661, 2-(5-Chloro-2-ethylphenyl)-N-methyl-5-(...)
Show SMILES CCc1ccc(Cl)cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;9.99,-4.66,;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,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,)|
Show InChI InChI=1S/C20H18ClN5O/c1-3-11-4-5-12(21)8-14(11)18-15(19(22)27)9-16(26(18)2)17-13-6-7-23-20(13)25-10-24-17/h4-10H,3H2,1-2H3,(H2,22,27)(H,23,24,25)
PDB

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US Patent
n/an/a 1n/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