BindingDB logo
myBDB logout

null

SMILES: CS(=O)(=O)N1CCCC(C1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O

InChI Key: InChIKey=ROLVPPMVMFARPG-XMKPYSNPSA-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 = 311532   
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))
BDBM311532
PNG
(5-{[cis-2- aminocyclohexyl]amino}- N-{3-carbamoyl-...)
Show SMILES CS(=O)(=O)N1CCCC(C1)n1cc(NC(=O)c2cnn3ccc(N[C@H]4CCCC[C@H]4N)nc23)c(n1)C(N)=O |r|
Show InChI InChI=1S/C23H32N10O4S/c1-38(36,37)31-9-4-5-14(12-31)33-13-18(20(30-33)21(25)34)28-23(35)15-11-26-32-10-8-19(29-22(15)32)27-17-7-3-2-6-16(17)24/h8,10-11,13-14,16-17H,2-7,9,12,24H2,1H3,(H2,25,34)(H,27,29)(H,28,35)/t14?,16-,17+/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 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...


US Patent US10155765 (2018)


BindingDB Entry DOI: 10.7270/Q21V5H2J
More data for this
Ligand-Target Pair