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SMILES: CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O

InChI Key: InChIKey=MCADOGNDBPLJRG-SJORKVTESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 312055   
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))		BDBM312055
PNG
(5-{[cis-2-Aminocyclohexyl]amino}-N-{3-carbamoyl-1-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
Show InChI InChI=1S/C23H32N10O4S/c1-38(36,37)31-9-6-14(7-10-31)33-13-18(20(30-33)21(25)34)28-23(35)15-12-26-32-11-8-19(29-22(15)32)27-17-5-3-2-4-16(17)24/h8,11-14,16-17H,2-7,9-10,24H2,1H3,(H2,25,34)(H,27,29)(H,28,35)/t16-,17+/m1/s1
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US Patent
n/an/a 2n/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