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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50547964'   
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))
BDBM50547964
PNG
(CHEMBL4783351)
Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
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PC cid
PC sid
PDB
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PDB
Article
PubMed
n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant full length N-terminal His6-tagged human IRAK4 expressed in baculovirus infected sf9 cells using biotinylated histone H3 as...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00255
BindingDB Entry DOI: 10.7270/Q28G8QB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50547964
PNG
(CHEMBL4783351)
Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
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PC cid
PC sid
PDB
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n/an/a 270n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 in human MV4-11 cells assessed as modulation of phospho-IRAK1 level by immunoblotting analysis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00255
BindingDB Entry DOI: 10.7270/Q28G8QB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50547964
PNG
(CHEMBL4783351)
Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
PDB
MMDB

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 514n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 in human THP-1 cells assessed as inhibition of LTA-induced TNF-alpha production preincubated for 60 mins followed by LTA stimulat...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00255
BindingDB Entry DOI: 10.7270/Q28G8QB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50547964
PNG
(CHEMBL4783351)
Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
PDB
MMDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 696n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 in human whole blood assessed as inhibition of TLR5-mediated FLA-ST-induced IL-6 release preincubated for 1 hr followed by FLA-ST...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00255
BindingDB Entry DOI: 10.7270/Q28G8QB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50547964
PNG
(CHEMBL4783351)
Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
PDB
MMDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 989n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 in human whole blood assessed as inhibition of TLR2-mediated LTA-induced IL-6 release preincubated for 1 hr followed by LTA stimu...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00255
BindingDB Entry DOI: 10.7270/Q28G8QB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50547964
PNG
(CHEMBL4783351)
Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CC[C@@H](O)C1)N1CCOCC1 |r|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.38E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of IRAK4 in human whole blood assessed as inhibition of IL-1R-mediated IL-1beta-induced IL-6 release preincubated for 1 hr followed by IL-...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00255
BindingDB Entry DOI: 10.7270/Q28G8QB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)