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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM319564'   
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))
BDBM319564
PNG
(4-Amino-1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrro...)
Show SMILES CC[C@H]1[C@@H](COc2ncc(N)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
Show InChI InChI=1S/C18H21FN4O4/c1-3-8-13(23-17(25)15(8)19)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(20)6-22-18/h4-6,8,13,15H,3,7,20H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM319564
PNG
(4-Amino-1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrro...)
Show SMILES CC[C@H]1[C@@H](COc2ncc(N)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r|
Show InChI InChI=1S/C18H21FN4O4/c1-3-8-13(23-17(25)15(8)19)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(20)6-22-18/h4-6,8,13,15H,3,7,20H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...


US Patent US10174000 (2019)


BindingDB Entry DOI: 10.7270/Q27S7QWQ
More data for this
Ligand-Target Pair