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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 = 'BDBM113221'   
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))
BDBM113221
PNG
(US8633206, 140)
Show SMILES CCOP(=O)(OCC)O[C@@H]1CCCN(C1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)N(C)c1ncnc2[nH]ccc12 |r,wU:22.26,9.8,wD:19.19,(9.44,2.7,;8.11,1.93,;6.77,2.7,;5.23,2.7,;5.23,4.24,;6,1.36,;7.34,.59,;8.67,1.36,;3.9,1.93,;2.56,2.69,;2.56,4.23,;1.23,5,;-.1,4.23,;-.1,2.69,;1.23,1.93,;-1.44,1.93,;-2.21,.59,;-.67,.59,;-2.77,2.69,;-4.1,1.93,;-5.44,2.69,;-6.77,1.93,;-6.77,.38,;-5.44,-.38,;-4.1,.38,;-8.11,-.38,;-9.44,.38,;-8.11,-1.93,;-9.44,-2.69,;-9.44,-4.23,;-8.11,-5,;-6.77,-4.23,;-5.31,-4.71,;-4.4,-3.47,;-5.31,-2.22,;-6.77,-2.69,)|
Show InChI InChI=1S/C23H38N5O6PS/c1-4-32-35(29,33-5-2)34-20-7-6-14-28(15-20)36(30,31)16-18-8-10-19(11-9-18)27(3)23-21-12-13-24-22(21)25-17-26-23/h12-13,17-20H,4-11,14-16H2,1-3H3,(H,24,25,26)/t18-,19-,20-/m1/s1
PDB

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US Patent
n/an/a 1.80n/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