Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM380572'   

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))	BDBM380572 (US9926330, 2-25 | trans-N- (cyclopropylmethyl)-N'-...) Show SMILES Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)NCC3CC3)c2c1 |r,wU:13.16,wD:10.9,(-2.59,6.77,;-3.36,5.44,;-4.9,5.44,;-5.67,4.1,;-4.9,2.77,;-5.67,1.44,;-4.9,.1,;-3.36,.1,;-2.59,1.44,;-1.05,1.44,;-.28,.1,;-1.05,-1.23,;-.28,-2.56,;1.26,-2.56,;2.03,-1.23,;1.26,.1,;2.03,-3.9,;3.57,-3.9,;4.34,-5.23,;4.34,-6.77,;5.67,-6,;-3.36,2.77,;-2.59,4.1,)| Show InChI InChI=1S/C19H26N4/c1-13-2-9-18-17(10-13)19(22-12-21-18)23-16-7-5-15(6-8-16)20-11-14-3-4-14/h2,9-10,12,14-16,20H,3-8,11H2,1H3,(H,21,22,23)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					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...				J Med Chem 51: 4948-56 (2008) BindingDB Entry DOI: 10.7270/Q2GB26B4
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