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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 = 'BDBM302979'   
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))
BDBM302979
PNG
(US9598440, 120)
Show SMILES CC(C)(O)[C@H]1C[C@@H](Nc2[nH+]c(Nc3ccnc(c3)C(F)(F)F)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C25H25F3N6O3S/c1-24(2,37)14-10-16(20(36)19(14)35)32-21-13(22-33-15-5-3-4-6-17(15)38-22)11-30-23(34-21)31-12-7-8-29-18(9-12)25(26,27)28/h3-9,11,14,16,19-20,35-37H,10H2,1-2H3,(H2,29,30,31,32,34)/p+1/t14-,16+,19+,20-/m0/s1
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 10n/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