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BDBM294331 US9586948, Example 50

SMILES: Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1

InChI Key: InChIKey=YRADKWQDVHKXFM-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 294331   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM294331
PNG
(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
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US Patent
n/an/a 2.68E+3n/an/an/an/a7.2n/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US9586948 (2017)


BindingDB Entry DOI: 10.7270/Q2RF5X2W
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM294331
PNG
(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
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PC cid
PC sid
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Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full-length IRAK4 expressed in baculovirus infected Sf9 insect cells using 5FAM-RKRQGSVRRRVH-CO...


Bioorg Med Chem Lett 26: 4250-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.048
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM294331
PNG
(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
PDB
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Reactome pathway
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.68E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal GST-tagged full-length IRAK4 expressed in baculovirus infected Sf9 insect cells using 5FAM-RKRQGSVRRRVH-CO...


Bioorg Med Chem Lett 26: 4250-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.07.048
More data for this
Ligand-Target Pair