BindingDB logo
myBDB logout

BDBM203517 US9221809, 54

SMILES: OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=FSABWXBVYKDHJZ-SZWQXNFENA-N

Data: 1 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 1 hit for monomerid = 203517   
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))
BDBM203517
PNG
(US9221809, 54)
Show SMILES OC[C@H]1C[C@@H](Nc2nc(Nc3ccncc3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O
Show InChI InChI=1/C22H22N6O4S/c29-10-11-9-14(18(31)17(11)30)25-19-16(21-26-13-3-1-2-4-15(13)33-21)20(32)28-22(27-19)24-12-5-7-23-8-6-12/h1-8,11,14,17-18,29-31H,9-10H2,(H3,23,24,25,27,28,32)/t11-,14-,17-,18+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 654n/an/an/an/a7.225



Merck Sharp & Dohme Corp

US Patent


Assay Description
A 20 ul reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (RP7030, Molecul...


US Patent US9221809 (2015)


BindingDB Entry DOI: 10.7270/Q23B5XZM
More data for this
Ligand-Target Pair