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SMILES: OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1

InChI Key: InChIKey=VFSFIEOIWVINSK-DHTOPLTISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278841   
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))		BDBM278841
PNG
(N-(3-bromo-1-methyl- 1H-pyrazol-4-yl)-2- [(1S,4S)-...)
Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1 |r|
Show InChI InChI=1S/C17H18BrN7OS.C2HF3O2/c1-24-7-12(15(18)23-24)21-16(26)11-8-27-17-14(11)22-13(5-20-17)25-6-9-2-3-10(25)4-19-9;3-2(4,5)1(6)7/h5,7-10,19H,2-4,6H2,1H3,(H,21,26);(H,6,7)/t9-,10-;/m1./s1
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PC cid
PC sid
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US Patent
n/an/a 19n/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 US10040802 (2018)


BindingDB Entry DOI: 10.7270/Q298891C
More data for this
Ligand-Target Pair