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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 = 'BDBM50130680'   
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))
BDBM50130680
PNG
(CHEMBL3634382)
Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
Show InChI InChI=1S/C19H23F2N7O/c1-27-10-14(17(26-27)18(20)21)24-19(29)15-8-6-11-7-9-16(25-28(11)15)23-13-5-3-2-4-12(13)22/h6-10,12-13,18H,2-5,22H2,1H3,(H,23,25)(H,24,29)/t12-,13+/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50130680
PNG
(CHEMBL3634382)
Show SMILES Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCC[C@@H]4N)nn23)c(n1)C(F)F |r|
Show InChI InChI=1S/C19H23F2N7O/c1-27-10-14(17(26-27)18(20)21)24-19(29)15-8-6-11-7-9-16(25-28(11)15)23-13-5-3-2-4-12(13)22/h6-10,12-13,18H,2-5,22H2,1H3,(H,23,25)(H,24,29)/t12-,13+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 in human PBMC


Bioorg Med Chem Lett 25: 5384-8 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.028
BindingDB Entry DOI: 10.7270/Q2WS8W3R
More data for this
Ligand-Target Pair