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SMILES: COc1cc(Nc2ncc(-c3nc(C)cs3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)ccn1

InChI Key: InChIKey=MMYUBJIVWANVRC-IDCNUPLLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302994   
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))		BDBM302994
PNG
(US9598440, 135)
Show SMILES COc1cc(Nc2ncc(-c3nc(C)cs3)c(N[C@@H]3C[C@@H]([C@@H](O)[C@H]3O)C(C)(C)O)n2)ccn1 |r|
Show InChI InChI=1S/C22H28N6O4S/c1-11-10-33-20(25-11)13-9-24-21(26-12-5-6-23-16(7-12)32-4)28-19(13)27-15-8-14(22(2,3)31)17(29)18(15)30/h5-7,9-10,14-15,17-18,29-31H,8H2,1-4H3,(H2,23,24,26,27,28)/t14-,15+,17+,18-/m0/s1
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US Patent
n/an/a 1n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...

US Patent US9598440 (2017)


BindingDB Entry DOI: 10.7270/Q2XG9T6V
More data for this
Ligand-Target Pair