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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 = 'BDBM50258424'   
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))
BDBM50258424
PNG
(CHEMBL494221 | trans-4-(3-(3-(trifluoromethyl)phen...)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccc2nnc(-c3cccc(c3)C(F)(F)F)n2n1 |r,wU:1.0,wD:4.7,(9.27,-14.54,;10.6,-15.32,;11.94,-14.55,;13.26,-15.32,;13.27,-16.87,;11.93,-17.64,;10.6,-16.86,;14.6,-17.63,;15.94,-16.86,;15.94,-15.32,;17.27,-14.54,;18.59,-15.32,;20.06,-14.85,;20.97,-16.09,;20.06,-17.34,;20.82,-18.68,;20.03,-20,;20.78,-21.34,;22.32,-21.36,;23.11,-20.02,;22.35,-18.69,;24.65,-20.03,;26.17,-20.13,;24.7,-18.5,;24.61,-21.57,;18.59,-16.86,;17.27,-17.62,)|
Show InChI InChI=1S/C18H18F3N5O/c19-18(20,21)12-3-1-2-11(10-12)17-24-23-16-9-8-15(25-26(16)17)22-13-4-6-14(27)7-5-13/h1-3,8-10,13-14,27H,4-7H2,(H,22,25)/t13-,14-
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PC cid
PC sid
UniChem
Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 19: 3019-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.061
BindingDB Entry DOI: 10.7270/Q21J99PJ
More data for this
Ligand-Target Pair