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BDBM286247 N-(5-Dimethylcarbamoylmethyl-1H-benzoimidazol-2-yl)-3-(6-oxo-3-pyridin-3-yl-6H-pyridazin-1-ylmethyl)-benzamide::US9567320, Example 6

SMILES: CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1

InChI Key: InChIKey=GDTWJJTWBAUDNO-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 286247   
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))
BDBM286247
PNG
(N-(5-Dimethylcarbamoylmethyl-1H-benzoimidazol-2-yl...)
Show SMILES CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
Show InChI InChI=1S/C28H25N7O3/c1-34(2)26(37)15-18-8-9-23-24(14-18)31-28(30-23)32-27(38)20-6-3-5-19(13-20)17-35-25(36)11-10-22(33-35)21-7-4-12-29-16-21/h3-14,16H,15,17H2,1-2H3,(H2,30,31,32,38)
PDB
MMDB

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B.MOAD
DrugBank
antibodypedia
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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 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine generic peptidic substrate (STK: 61ST1BLC from CisBio International ba...


US Patent US9567320 (2017)


BindingDB Entry DOI: 10.7270/Q29W0HJR
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM286247
PNG
(N-(5-Dimethylcarbamoylmethyl-1H-benzoimidazol-2-yl...)
Show SMILES CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccnc4)c3)nc2c1
Show InChI InChI=1S/C28H25N7O3/c1-34(2)26(37)15-18-8-9-23-24(14-18)31-28(30-23)32-27(38)20-6-3-5-19(13-20)17-35-25(36)11-10-22(33-35)21-7-4-12-29-16-21/h3-14,16H,15,17H2,1-2H3,(H2,30,31,32,38)
PDB

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UniProtKB/SwissProt

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
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 US9567320 (2017)


BindingDB Entry DOI: 10.7270/Q29W0HJR
More data for this
Ligand-Target Pair