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SMILES: OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1

InChI Key: InChIKey=KTCSUCYXBUASNP-LMRHVHIWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278777   
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))		BDBM278777
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(2-cyanot...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1ccc2ccc(C(=O)Nc3ccsc3C#N)n2n1 |r|
Show InChI InChI=1S/C19H20N6OS.C2HF3O2/c20-11-17-15(9-10-27-17)23-19(26)16-7-5-12-6-8-18(24-25(12)16)22-14-4-2-1-3-13(14)21;3-2(4,5)1(6)7/h5-10,13-14H,1-4,21H2,(H,22,24)(H,23,26);(H,6,7)/t13-,14+;/m0./s1
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US Patent
n/an/a 2n/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 US10040798 (2018)


BindingDB Entry DOI: 10.7270/Q2F191Q7
More data for this
Ligand-Target Pair