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SMILES: OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C#N)c2n1

InChI Key: InChIKey=QQRNDYRACQHPQX-JHEYCYPBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 278878   
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))
BDBM278878
PNG
(2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(4-cyano...)
Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C#N)c2n1 |r|
Show InChI InChI=1S/C18H18N6OS2.C2HF3O2/c19-5-10-7-26-9-14(10)23-17(25)11-8-27-18-16(11)24-15(6-21-18)22-13-4-2-1-3-12(13)20;3-2(4,5)1(6)7/h6-9,12-13H,1-4,20H2,(H,22,24)(H,23,25);(H,6,7)/t12-,13+;/m0./s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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