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SMILES: CNC(=O)c1nn(CCO)cc1NC(=O)c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12

InChI Key: InChIKey=SCAIOKZPJYJXHE-UONOGXRCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 311567   
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))		BDBM311567
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1-(2- hy...)
Show SMILES CNC(=O)c1nn(CCO)cc1NC(=O)c1ccc2cnc(N[C@@H]3CCCC[C@@H]3N)nn12 |r|
Show InChI InChI=1S/C20H27N9O3/c1-22-19(32)17-15(11-28(26-17)8-9-30)24-18(31)16-7-6-12-10-23-20(27-29(12)16)25-14-5-3-2-4-13(14)21/h6-7,10-11,13-14,30H,2-5,8-9,21H2,1H3,(H,22,32)(H,24,31)(H,25,27)/t13-,14+/m0/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 63n/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