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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 = 'BDBM302920'   
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))
BDBM302920
PNG
(US9598440, 58)
Show SMILES COc1cc(Nc2ncc(c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)-c2ccc3ccccc3n2)ccn1 |r|
Show InChI InChI=1S/C25H26N6O4/c1-35-21-11-16(8-9-26-21)28-25-27-12-17(19-7-6-14-4-2-3-5-18(14)29-19)24(31-25)30-20-10-15(13-32)22(33)23(20)34/h2-9,11-12,15,20,22-23,32-34H,10,13H2,1H3,(H2,26,27,28,30,31)/p+1/t15-,20-,22-,23+/m1/s1
PDB
MMDB

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US Patent
n/an/a 8n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...


US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair