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SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F

InChI Key: InChIKey=AIVGSRGEBPQQMX-DHTOPLTISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278844   
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))		BDBM278844
PNG
(2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo[2.2.2] oc...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F |r|
Show InChI InChI=1S/C18H19F2N7OS.C2HF3O2/c1-26-7-12(15(25-26)16(19)20)23-17(28)11-8-29-18-14(11)24-13(5-22-18)27-6-9-2-3-10(27)4-21-9;3-2(4,5)1(6)7/h5,7-10,16,21H,2-4,6H2,1H3,(H,23,28);(H,6,7)/t9-,10-;/m1./s1
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US Patent
n/an/a 1n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp.

US Patent


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...

US Patent US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair