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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 = 'BDBM302906'   
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))
BDBM302906
PNG
(US9598440, 44)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1 |r|
Show InChI InChI=1S/C28H33N7O3S/c1-34-10-12-35(13-11-34)19-8-6-18(7-9-19)30-28-29-15-20(27-32-21-4-2-3-5-23(21)39-27)26(33-28)31-22-14-17(16-36)24(37)25(22)38/h2-9,15,17,22,24-25,36-38H,10-14,16H2,1H3,(H2,29,30,31,33)/t17-,22-,24-,25+/m1/s1
PDB
MMDB

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US Patent
n/an/a 3n/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