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SMILES: CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2

InChI Key: InChIKey=IOGAJFHQVURNGY-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 355820   
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))
BDBM355820
PNG
(US9815836, Compound 5)
Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2
Show InChI InChI=1S/C20H22N8O4/c1-26-7-6-21-19(30)17-16(12-27(2)25-17)24-18(29)15-5-3-4-14(23-15)13-10-22-28(11-13)8-9-32-20(26)31/h3-5,10-12H,6-9H2,1-2H3,(H,21,30)(H,24,29)
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<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...


US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))
BDBM355820
PNG
(US9815836, Compound 5)
Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2
Show InChI InChI=1S/C20H22N8O4/c1-26-7-6-21-19(30)17-16(12-27(2)25-17)24-18(29)15-5-3-4-14(23-15)13-10-22-28(11-13)8-9-32-20(26)31/h3-5,10-12H,6-9H2,1-2H3,(H,21,30)(H,24,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712))In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...


US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair