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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 = 'BDBM302970'   
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))
BDBM302970
PNG
(US9598440, 111)
Show SMILES Cc1cc(Nc2ncc(-c3ccc4ccccc4n3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)[nH+]2)cc(C)n1 |r|
Show InChI InChI=1S/C28H32N6O3/c1-15-11-18(12-16(2)30-15)31-27-29-14-19(22-10-9-17-7-5-6-8-21(17)32-22)26(34-27)33-23-13-20(28(3,4)37)24(35)25(23)36/h5-12,14,20,23-25,35-37H,13H2,1-4H3,(H2,29,30,31,33,34)/p+1/t20-,23+,24+,25-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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