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BDBM50040867 CHEMBL3353206

SMILES: Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O

InChI Key: InChIKey=XTVOMCVEGADMQN-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50040867   
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))
BDBM50040867
PNG
(CHEMBL3353206)
Show SMILES Cn1cc(cn1)-c1cccc(n1)C(=O)Nc1cn(C)nc1C(N)=O
Show InChI InChI=1S/C15H15N7O2/c1-21-7-9(6-17-21)10-4-3-5-11(18-10)15(24)19-12-8-22(2)20-13(12)14(16)23/h3-8H,1-2H3,(H2,16,23)(H,19,24)
PDB
MMDB

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CHEMBL
PC cid
PC sid
PDB
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Similars

PDB
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin)


J Med Chem 58: 96-110 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)