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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 = 'BDBM303022'   
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))
BDBM303022
PNG
(US9598440, 164)
Show SMILES Cc1cc(Nc2cc(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)c(cn2)-c2ccc3ccccc3n2)cc(C)n1 |r|
Show InChI InChI=1S/C29H33N5O3/c1-16-11-19(12-17(2)31-16)32-26-14-24(34-25-13-21(29(3,4)37)27(35)28(25)36)20(15-30-26)23-10-9-18-7-5-6-8-22(18)33-23/h5-12,14-15,21,25,27-28,35-37H,13H2,1-4H3,(H2,30,31,32,34)/t21-,25+,27+,28-/m0/s1
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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