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BDBM347995 US9790221, Compound 201

SMILES: Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1

InChI Key: InChIKey=PHTLITQNUCULAW-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 = 347995   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM347995
PNG
(US9790221, Compound 201)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1
Show InChI InChI=1S/C26H32N8O2S/c1-33-16-21(13-28-33)19-5-4-6-20(11-19)25-27-15-24(22-14-29-34(2)17-22)26(32-25)31-23-9-7-18(8-10-23)12-30-37(3,35)36/h4-6,11,13-18,23,30H,7-10,12H2,1-3H3,(H,27,31,32)
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
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 (IRAK1)


(Homo sapiens (Human))
BDBM347995
PNG
(US9790221, Compound 201)
Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(CNS(C)(=O)=O)CC2)n1
Show InChI InChI=1S/C26H32N8O2S/c1-33-16-21(13-28-33)19-5-4-6-20(11-19)25-27-15-24(22-14-29-34(2)17-22)26(32-25)31-23-9-7-18(8-10-23)12-30-37(3,35)36/h4-6,11,13-18,23,30H,7-10,12H2,1-3H3,(H,27,31,32)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.00E+3n/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