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BDBM50040744 CHEMBL3353213

SMILES: OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1

InChI Key: InChIKey=SJQNLSWHMMJEKW-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 = 50040744   
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


(Homo sapiens (Human))
BDBM50040744
PNG
(CHEMBL3353213)
Show SMILES OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Show InChI InChI=1S/C25H20N6O3/c32-15-17-6-7-21-22(12-17)28-25(27-21)29-24(34)18-4-1-3-16(11-18)14-31-23(33)9-8-20(30-31)19-5-2-10-26-13-19/h1-13,32H,14-15H2,(H2,27,28,29,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK1 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50040744
PNG
(CHEMBL3353213)
Show SMILES OCc1ccc2nc(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)[nH]c2c1
Show InChI InChI=1S/C25H20N6O3/c32-15-17-6-7-21-22(12-17)28-25(27-21)29-24(34)18-4-1-3-16(11-18)14-31-23(33)9-8-20(30-31)19-5-2-10-26-13-19/h1-13,32H,14-15H2,(H2,27,28,29,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Nimbus Discovery

Curated by ChEMBL


Assay Description
Inhibition of IRAK4 (unknown origin) by radiochemical assay


J Med Chem 58: 96-110 (2015)


Article DOI: 10.1021/jm5016044
BindingDB Entry DOI: 10.7270/Q2P84DHS
More data for this
Ligand-Target Pair