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SMILES: OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1

InChI Key: InChIKey=KNCBISXOBZEGTD-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 = 318834   
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 1 [194-712]


(Homo sapiens (Human))
BDBM318834
PNG
(US9624246, Compound 11)
Show SMILES OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1
Show InChI InChI=1S/C24H26N6O6/c31-18-11-25-24(34)22-19(13-29(28-22)17-6-8-35-9-7-17)26-23(33)16-3-1-2-15(10-16)12-30-21(32)5-4-20(27-30)36-14-18/h1-5,10,13,17-18,31H,6-9,11-12,14H2,(H,25,34)(H,26,33)
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 IRA...


US Patent US9624246 (2017)


BindingDB Entry DOI: 10.7270/Q2DF6T92
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM318834
PNG
(US9624246, Compound 11)
Show SMILES OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1
Show InChI InChI=1S/C24H26N6O6/c31-18-11-25-24(34)22-19(13-29(28-22)17-6-8-35-9-7-17)26-23(33)16-3-1-2-15(10-16)12-30-21(32)5-4-20(27-30)36-14-18/h1-5,10,13,17-18,31H,6-9,11-12,14H2,(H,25,34)(H,26,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...


US Patent US9624246 (2017)


BindingDB Entry DOI: 10.7270/Q2DF6T92
More data for this
Ligand-Target Pair