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SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](C2)NS(C)(=O)=O)n1

InChI Key: InChIKey=NDEMKIYZHBESJY-SFTDATJTSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 347984   
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))
BDBM347984
PNG
(US9790221, Compound 190)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C24H28N8O2S/c1-31-14-18(11-26-31)16-5-4-6-17(9-16)23-25-13-22(19-12-27-32(2)15-19)24(29-23)28-20-7-8-21(10-20)30-35(3,33)34/h4-6,9,11-15,20-21,30H,7-8,10H2,1-3H3,(H,25,28,29)/t20-,21-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...


US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712]


(Homo sapiens (Human))
BDBM347984
PNG
(US9790221, Compound 190)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r|
Show InChI InChI=1S/C24H28N8O2S/c1-31-14-18(11-26-31)16-5-4-6-17(9-16)23-25-13-22(19-12-27-32(2)15-19)24(29-23)28-20-7-8-21(10-20)30-35(3,33)34/h4-6,9,11-15,20-21,30H,7-8,10H2,1-3H3,(H,25,28,29)/t20-,21-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...


US Patent US9790221 (2017)


BindingDB Entry DOI: 10.7270/Q29S1T4F
More data for this
Ligand-Target Pair