Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM188986'   

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))	BDBM188986 (US9169260, 252) Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)c1cnn2cccnc12)C1CCN(CC1)C1CCC(CC1)NS(C)(=O)=O |(9.28,2.55,;7.79,2.15,;7.4,.66,;5.91,.26,;4.82,1.35,;5.22,2.84,;6.71,3.24,;3.33,.95,;2.86,-.51,;1.32,-.51,;.84,.95,;2.09,1.86,;2.09,3.4,;.75,4.17,;-.58,3.4,;.75,5.71,;2,6.61,;1.52,8.08,;-.02,8.08,;-1.05,9.22,;-2.55,8.9,;-3.03,7.44,;-2,6.29,;-.49,6.61,;.23,-1.6,;-1.26,-1.2,;-2.35,-2.29,;-1.95,-3.78,;-.46,-4.18,;.63,-3.09,;-3.04,-4.87,;-4.53,-4.47,;-5.62,-5.56,;-5.22,-7.04,;-3.73,-7.44,;-2.64,-6.35,;-6.31,-8.13,;-7.79,-7.74,;-8.19,-9.22,;-9.28,-7.34,;-7.4,-6.25,)| Show InChI InChI=1S/C29H36N8O3S/c1-20-4-8-24(9-5-20)37-27(32-29(38)25-19-31-36-15-3-14-30-28(25)36)18-26(33-37)21-12-16-35(17-13-21)23-10-6-22(7-11-23)34-41(2,39)40/h3-5,8-9,14-15,18-19,21-23,34H,6-7,10-13,16-17H2,1-2H3,(H,32,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	7.2	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description The kinase activity of IRAK-4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phos...				US Patent US9169260 (2015) BindingDB Entry DOI: 10.7270/Q26H4G6N
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