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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM112609'   
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 JAK3


(Homo sapiens (Human))
BDBM112609
PNG
(US8618103, I-105)
Show SMILES CS(=O)(=O)N1CCC[C@@H](C1)Nc1nc(ncc1-c1cnc2[nH]ccc2n1)N1CCC(CC(O)=O)CC1 |r|
Show InChI InChI=1S/C23H30N8O4S/c1-36(34,35)31-8-2-3-16(14-31)27-21-17(19-13-25-22-18(28-19)4-7-24-22)12-26-23(29-21)30-9-5-15(6-10-30)11-20(32)33/h4,7,12-13,15-16H,2-3,5-6,8-11,14H2,1H3,(H,24,25)(H,32,33)(H,26,27,29)/t16-/m0/s1
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PC cid
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US Patent
0.0117n/a 0.0234n/an/an/an/a7.2n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.


US Patent US8618103 (2013)


BindingDB Entry DOI: 10.7270/Q25H7DZH
More data for this
Ligand-Target Pair