BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 431.4
BDBM271363

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM271363
PNG
(US10064861, Compound 18)
Show SMILES OC1CCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3C1)n2
Show InChI InChI=1S/C23H21N5O4/c29-17-10-11-32-20-8-9-21(30)28(26-20)13-15-4-3-5-16(12-15)22(31)25-23-24-18-6-1-2-7-19(18)27(23)14-17/h1-9,12,17,29H,10-11,13-14H2,(H,24,25,31)
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/a7.0n/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 US10064861 (2018)


BindingDB Entry DOI: 10.7270/Q2NV9M8K
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM271363
PNG
(US10064861, Compound 18)
Show SMILES OC1CCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3nc4ccccc4n3C1)n2
Show InChI InChI=1S/C23H21N5O4/c29-17-10-11-32-20-8-9-21(30)28(26-20)13-15-4-3-5-16(12-15)22(31)25-23-24-18-6-1-2-7-19(18)27(23)14-17/h1-9,12,17,29H,10-11,13-14H2,(H,24,25,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.0n/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 IRA...


US Patent US10064861 (2018)


BindingDB Entry DOI: 10.7270/Q2NV9M8K
More data for this
Ligand-Target Pair