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SMILES: CCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O

InChI Key: InChIKey=YGAODTUHZWIDAG-QWHCGFSZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311564   
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))		BDBM311564
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-carbam...)
Show SMILES CCn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(N)=O |r|
Show InChI InChI=1S/C19H25N9O2/c1-2-27-10-14(16(25-27)17(21)29)23-18(30)15-8-7-11-9-22-19(26-28(11)15)24-13-6-4-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,30)(H,24,26)/t12-,13+/m0/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 1n/an/an/an/an/an/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 US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair