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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM278863'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM278863
PNG
(2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(1-methyl...)
Show SMILES OC(=O)C(F)(F)F.C[N]1=C(C(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)=CN1)C(F)(F)F |r,c:32,t:7|
Show InChI InChI=1S/C18H21F3N7OS.C2HF3O2/c1-28-15(18(19,20)21)12(6-24-28)26-16(29)9-8-30-17-14(9)27-13(7-23-17)25-11-5-3-2-4-10(11)22;3-2(4,5)1(6)7/h6-8,10-11,24H,2-5,22H2,1H3,(H,25,27)(H,26,29);(H,6,7)/t10-,11+;/m0./s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 16n/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