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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113108'   
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 JAK1


(Homo sapiens (Human))
BDBM113108
PNG
(US8633206, 26)
Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CC[C@@H](C2)NC(=O)OC(C)(C)C)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,13.15,(-9.1,.53,;-7.76,-.24,;-6.43,.53,;-6.43,2.07,;-5.1,2.84,;-3.76,2.07,;-2.43,2.84,;-1.09,2.07,;-1.86,.74,;-.32,.74,;.24,2.84,;.24,4.38,;1.7,4.86,;2.61,3.61,;1.7,2.37,;4.1,4.01,;5.19,2.92,;4.79,1.43,;6.67,3.32,;7.76,2.23,;7.76,.69,;9.1,3,;9.1,1.46,;-3.76,.53,;-5.1,-.24,;-7.76,-1.78,;-9.1,-2.55,;-9.1,-4.09,;-7.76,-4.86,;-6.43,-4.09,;-4.96,-4.56,;-4.06,-3.32,;-4.96,-2.07,;-6.43,-2.55,)|
Show InChI InChI=1S/C23H36N6O4S/c1-23(2,3)33-22(30)27-17-10-12-29(13-17)34(31,32)14-16-5-7-18(8-6-16)28(4)21-19-9-11-24-20(19)25-15-26-21/h9,11,15-18H,5-8,10,12-14H2,1-4H3,(H,27,30)(H,24,25,26)/t16-,17-,18-/m0/s1
PDB

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PC cid
PC sid
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US Patent
n/an/a 1.44n/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