BindingDB logo
myBDB logout

null

SMILES: Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CF)[C@@H](O)[C@H]3O)n2)cc(C)n1

InChI Key: InChIKey=QELPVSIUVABZCJ-STCFGPAYSA-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 1 hit for monomerid = 303003   
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))		BDBM303003
PNG
(US9598440, 144)
Show SMILES Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CF)[C@@H](O)[C@H]3O)n2)cc(C)n1 |r|
Show InChI InChI=1S/C24H25FN6O2S/c1-12-7-15(8-13(2)27-12)28-24-26-11-16(23-30-17-5-3-4-6-19(17)34-23)22(31-24)29-18-9-14(10-25)20(32)21(18)33/h3-8,11,14,18,20-21,32-33H,9-10H2,1-2H3,(H2,26,27,28,29,31)/t14-,18-,20-,21+/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 3n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair