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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 = 'BDBM113217'   
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))
BDBM113217
PNG
(US8633206, 136)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)|
Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,16-
PDB

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US Patent
n/an/a 1.29n/an/an/an/a7.4n/a



Pfizer Inc.

US Patent


Assay Description
A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...


US Patent US8633206 (2014)


BindingDB Entry DOI: 10.7270/Q2ZS2V44
More data for this
Ligand-Target Pair