BindingDB logo
myBDB logout

null

SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1

InChI Key: InChIKey=KVOIBFBXADXYTG-VSKRKVRLSA-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 = 347928   
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))
BDBM347928
PNG
(US9790221, Compound 134)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-27-30)15-5-3-6-16(9-15)23-26-12-19(18-11-28-31(2)14-18)24(29-23)33-21-8-4-7-20(25)22(21)32/h3,5-6,9-14,20-22,32H,4,7-8,25H2,1-2H3/t20-,21-,22+/m1/s1
PDB
MMDB

Reactome pathway
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-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 [194-712]


(Homo sapiens (Human))
BDBM347928
PNG
(US9790221, Compound 134)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r|
Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-27-30)15-5-3-6-16(9-15)23-26-12-19(18-11-28-31(2)14-18)24(29-23)33-21-8-4-7-20(25)22(21)32/h3,5-6,9-14,20-22,32H,4,7-8,25H2,1-2H3/t20-,21-,22+/m1/s1
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, 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