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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 = 'BDBM311562'   
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))
BDBM311562
PNG
(2-[(2- aminoethyl)amino]-N- [1-methyl-3- (methylca...)
Show SMILES CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12
Show InChI InChI=1S/C15H19N9O2/c1-17-14(26)12-10(8-23(2)21-12)20-13(25)11-4-3-9-7-19-15(18-6-5-16)22-24(9)11/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,26)(H,18,22)(H,20,25)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/a 3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM311562
PNG
(2-[(2- aminoethyl)amino]-N- [1-methyl-3- (methylca...)
Show SMILES CNC(=O)c1nn(C)cc1NC(=O)c1ccc2cnc(NCCN)nn12
Show InChI InChI=1S/C15H19N9O2/c1-17-14(26)12-10(8-23(2)21-12)20-13(25)11-4-3-9-7-19-15(18-6-5-16)22-24(9)11/h3-4,7-8H,5-6,16H2,1-2H3,(H,17,26)(H,18,22)(H,20,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/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 US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair