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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 = 'BDBM311536'   
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))
BDBM311536
PNG
(5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-{3-carbam...)
Show SMILES CN1CCCC(Cn2cc(NC(=O)c3cnn4ccc(N[C@@H]5CCCC[C@@H]5N)nc34)c(n2)C(N)=O)C1 |r|
Show InChI InChI=1S/C24H34N10O2/c1-32-9-4-5-15(12-32)13-33-14-19(21(31-33)22(26)35)29-24(36)16-11-27-34-10-8-20(30-23(16)34)28-18-7-3-2-6-17(18)25/h8,10-11,14-15,17-18H,2-7,9,12-13,25H2,1H3,(H2,26,35)(H,28,30)(H,29,36)/t15?,17-,18+/m0/s1
PDB
MMDB

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PC sid
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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