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SMILES: Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1

InChI Key: InChIKey=SONRWOPRGQHPKL-IYARVYRRSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 394042   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM394042
PNG
(2-fluoro-5-(4-{[trans-4- (morpholin-4- yl)cyclohex...)
Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)|
Show InChI InChI=1S/C23H26FN5O2/c24-22-21(30)12-16(13-25-22)15-1-6-20-19(11-15)23(27-14-26-20)28-17-2-4-18(5-3-17)29-7-9-31-10-8-29/h1,6,11-14,17-18,30H,2-5,7-10H2,(H,26,27,28)/t17-,18-
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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