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BDBM271367 US10064861, Compound 22

SMILES: COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cnn(CCn3c2cc1OC)c5)c4

InChI Key: InChIKey=JEKNTDXKUAKXQX-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 = 271367   
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))
BDBM271367
PNG
(US10064861, Compound 22)
Show SMILES COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cnn(CCn3c2cc1OC)c5)c4
Show InChI InChI=1S/C26H23N7O4/c1-36-22-11-20-21(12-23(22)37-2)32-9-8-31-15-18(13-27-31)19-6-7-24(34)33(30-19)14-16-4-3-5-17(10-16)25(35)29-26(32)28-20/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,28,29,35)
PDB
MMDB

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UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.0n/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 US10064861 (2018)


BindingDB Entry DOI: 10.7270/Q2NV9M8K
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM271367
PNG
(US10064861, Compound 22)
Show SMILES COc1cc2nc3NC(=O)c4cccc(Cn5nc(ccc5=O)-c5cnn(CCn3c2cc1OC)c5)c4
Show InChI InChI=1S/C26H23N7O4/c1-36-22-11-20-21(12-23(22)37-2)32-9-8-31-15-18(13-27-31)19-6-7-24(34)33(30-19)14-16-4-3-5-17(10-16)25(35)29-26(32)28-20/h3-7,10-13,15H,8-9,14H2,1-2H3,(H,28,29,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/a7.0n/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 IRA...


US Patent US10064861 (2018)


BindingDB Entry DOI: 10.7270/Q2NV9M8K
More data for this
Ligand-Target Pair