Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM278914'   

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))	BDBM278914 (2-[(3S)- or (3R)- azepan-3- ylamino]-N-(2- cyanoph...) Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCCNC3)nc12 |r| Show InChI InChI=1S/C20H20N6OS.C2HF3O2/c21-9-13-5-1-2-7-16(13)25-19(27)15-12-28-20-18(15)26-17(11-23-20)24-14-6-3-4-8-22-10-14;3-2(4,5)1(6)7/h1-2,5,7,11-12,14,22H,3-4,6,8,10H2,(H,24,26)(H,25,27);(H,6,7)/t14-;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9	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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