Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM278827'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278827 (2-(1,4-diazepan-1-yl)- N-[1-methyl-3- (trifluorome...) Show SMILES Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C17H18F3N7OS/c1-26-8-11(14(25-26)17(18,19)20)23-15(28)10-9-29-16-13(10)24-12(7-22-16)27-5-2-3-21-4-6-27/h7-9,21H,2-6H2,1H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
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