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BDBM347830 US9790221, Compound 36

SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1

InChI Key: InChIKey=FYLOTDUPPSAYRS-UHFFFAOYSA-N

Data: 2 IC50

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 = 347830   
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))
BDBM347830
PNG
(US9790221, Compound 36)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...


US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))
BDBM347830
PNG
(US9790221, Compound 36)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCN2CCOCC2)n1
Show InChI InChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...


US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair