Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM278836'   

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))	BDBM278836 (2-(azepan-3-ylamino)- N-[1-methyl-3 (trifluorometh...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(NC4CCCCNC4)nc23)c(n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N7OS.C2HF3O2/c1-28-8-12(15(27-28)18(19,20)21)25-16(29)11-9-30-17-14(11)26-13(7-23-17)24-10-4-2-3-5-22-6-10;3-2(4,5)1(6)7/h7-10,22H,2-6H2,1H3,(H,24,26)(H,25,29);(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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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