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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM393974'   
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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM393974
PNG
(5-(4-{[trans-4- (morpholin-4- yl)cyclohexyl]amino}...)
Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.39,6.67,;-.38,8,;-1.92,8,;-2.69,6.67,;-1.92,5.33,;-.38,5.33,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.39,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.39,-4,;-.38,-2.67,;2.7,-5.33,;1.92,-6.67,;2.7,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.92,2.67,)|
Show InChI InChI=1S/C23H27N5O2/c29-20-11-17(13-24-14-20)16-1-6-22-21(12-16)23(26-15-25-22)27-18-2-4-19(5-3-18)28-7-9-30-10-8-28/h1,6,11-15,18-19,29H,2-5,7-10H2,(H,25,26,27)/t18-,19-
PDB
MMDB

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PC cid
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US Patent
n/an/a<0.5n/an/an/an/an/an/a



Purdue University



Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


J Med Chem 52: 1873-84 (2009)


BindingDB Entry DOI: 10.7270/Q2CN767V
More data for this
Ligand-Target Pair