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SMILES: OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O

InChI Key: InChIKey=BGUZYXYKAWUZCF-AIPUMIGSSA-O

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 302936   
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))		BDBM302936
PNG
(US9598440, 74)
Show SMILES OC[C@H]1C[C@@H](Nc2[nH+]c(Nc3cncnc3)ncc2-c2nc3ccncc3s2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H20N8O3S/c29-8-10-3-14(17(31)16(10)30)26-18-12(19-27-13-1-2-21-7-15(13)32-19)6-24-20(28-18)25-11-4-22-9-23-5-11/h1-2,4-7,9-10,14,16-17,29-31H,3,8H2,(H2,24,25,26,28)/p+1/t10-,14-,16-,17+/m1/s1
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US Patent
n/an/a 6n/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