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1 similar compounds to monomer 50040790

Compile data set for download or QSAR
Wt: 414.4
BDBM50040796

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50040796   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50040796
PNG
(CHEMBL3353192 | US10023562, Example 85 | US9657009...)
Show SMILES CC(C)Nc1cc(Nc2ncc(cc2C)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
Show InChI InChI=1/C21H27FN6O2/c1-12(2)27-16-7-18(28-19-13(3)6-14(8-23)9-25-19)24-10-15(16)20(29)26-11-17(22)21(4,5)30/h6-7,9-10,12,17,30H,11H2,1-5H3,(H,26,29)(H2,24,25,27,28)/t17-/s2
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Article
PubMed
n/an/a 3.60n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using fluoresceinated peptide and ATP after 60 mins by by Caliper assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040796
PNG
(CHEMBL3353192 | US10023562, Example 85 | US9657009...)
Show SMILES CC(C)Nc1cc(Nc2ncc(cc2C)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
Show InChI InChI=1/C21H27FN6O2/c1-12(2)27-16-7-18(28-19-13(3)6-14(8-23)9-25-19)24-10-15(16)20(29)26-11-17(22)21(4,5)30/h6-7,9-10,12,17,30H,11H2,1-5H3,(H,26,29)(H2,24,25,27,28)/t17-/s2
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US Patent
n/an/a 3.60n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US9657009 (2017)


Article DOI: 10.1021/jm060055x
BindingDB Entry DOI: 10.7270/Q2D79DGD
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040796
PNG
(CHEMBL3353192 | US10023562, Example 85 | US9657009...)
Show SMILES CC(C)Nc1cc(Nc2ncc(cc2C)C#N)ncc1C(=O)NC[C@@H](F)C(C)(C)O
Show InChI InChI=1/C21H27FN6O2/c1-12(2)27-16-7-18(28-19-13(3)6-14(8-23)9-25-19)24-10-15(16)20(29)26-11-17(22)21(4,5)30/h6-7,9-10,12,17,30H,11H2,1-5H3,(H,26,29)(H2,24,25,27,28)/t17-/s2
PDB
MMDB

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PC cid
PC sid
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Article
US Patent
n/an/a 3.60n/an/an/an/a7.225



Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US10023562 (2018)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2ZS2ZJR
More data for this
Ligand-Target Pair