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SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N

InChI Key: InChIKey=CBPHIUMTFFUKJX-LMRHVHIWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278732   
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))		BDBM278732
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-cyano-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C#N |r|
Show InChI InChI=1S/C19H22N8O.C2HF3O2/c1-26-11-16(15(10-20)24-26)23-19(28)17-8-6-12-7-9-18(25-27(12)17)22-14-5-3-2-4-13(14)21;3-2(4,5)1(6)7/h6-9,11,13-14H,2-5,21H2,1H3,(H,22,25)(H,23,28);(H,6,7)/t13-,14+;/m0./s1
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PC cid
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US Patent
n/an/a 0.700n/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