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BDBM271357 US10064861, Compound 12

SMILES: Oc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31

InChI Key: InChIKey=JAQCTSCYCJMCON-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 = 271357   
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))
BDBM271357
PNG
(US10064861, Compound 12)
Show SMILES Oc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C26H19N5O3/c32-23-10-8-17-13-19(23)20-9-11-24(33)31(29-20)15-16-4-3-5-18(12-16)25(34)28-26-27-21-6-1-2-7-22(21)30(26)14-17/h1-13,32H,14-15H2,(H,27,28,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
UniChem
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 US10064861 (2018)

More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM271357
PNG
(US10064861, Compound 12)
Show SMILES Oc1ccc2Cn3c(NC(=O)c4cccc(Cn5nc(ccc5=O)-c1c2)c4)nc1ccccc31
Show InChI InChI=1S/C26H19N5O3/c32-23-10-8-17-13-19(23)20-9-11-24(33)31(29-20)15-16-4-3-5-18(12-16)25(34)28-26-27-21-6-1-2-7-22(21)30(26)14-17/h1-13,32H,14-15H2,(H,27,28,34)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
UniChem
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 IRA...


US Patent US10064861 (2018)

More data for this
Ligand-Target Pair