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BDBM355830 US9815836, Compound 15

SMILES: O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1

InChI Key: InChIKey=WNIHRLHFZDFIJN-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 = 355830   
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))
BDBM355830
PNG
(US9815836, Compound 15)
Show SMILES O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O5S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-36(33,34)12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-35-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

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-IRAK4 (1-460)).In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Ser...


US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (IRAK1)


(Homo sapiens (Human))
BDBM355830
PNG
(US9815836, Compound 15)
Show SMILES O=C1NCCS(=O)(=O)CCCn2cc(cn2)-c2cccc(n2)C(=O)Nc2cn(nc12)C1CCOCC1
Show InChI InChI=1S/C23H27N7O5S/c31-22-19-4-1-3-18(26-19)16-13-25-29(14-16)8-2-11-36(33,34)12-7-24-23(32)21-20(27-22)15-30(28-21)17-5-9-35-10-6-17/h1,3-4,13-15,17H,2,5-12H2,(H,24,32)(H,27,31)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRAK...


US Patent US9815836 (2017)


BindingDB Entry DOI: 10.7270/Q2CZ39FC
More data for this
Ligand-Target Pair