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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 = 'BDBM203531'   
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))
BDBM203531
PNG
(US9221809, 88)
Show SMILES O=c1[nH]c(nc(NC2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H24N6O2S/c27-18-16(19-23-14-3-1-2-4-15(14)29-19)17(22-13-5-7-21-8-6-13)24-20(25-18)26-9-11-28-12-10-26/h1-4,13,21H,5-12H2,(H2,22,24,25,27)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 121n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) using 5FAM-RKRQGSVRRRVHCCOOH as substrate after 30 mins by IMAP assay


ACS Med Chem Lett 6: 942-7 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00279
BindingDB Entry DOI: 10.7270/Q26T0PG9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM203531
PNG
(US9221809, 88)
Show SMILES O=c1[nH]c(nc(NC2CCNCC2)c1-c1nc2ccccc2s1)N1CCOCC1
Show InChI InChI=1S/C20H24N6O2S/c27-18-16(19-23-14-3-1-2-4-15(14)29-19)17(22-13-5-7-21-8-6-13)24-20(25-18)26-9-11-28-12-10-26/h1-4,13,21H,5-12H2,(H2,22,24,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 121n/an/an/an/a7.225



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecul...


US Patent US9221809 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XZM
More data for this
Ligand-Target Pair