Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM206094'   

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))	BDBM206094 (US9255110, 6) Show SMILES O[C@H]1CC[C@H](CC1)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 |r,wD:4.7,1.0,(5.33,-3.84,;4,-3.07,;4,-1.53,;2.67,-.76,;1.33,-1.53,;1.33,-3.07,;2.67,-3.84,;,-.76,;-1.33,-1.53,;-1.33,-3.07,;-2.67,-3.84,;-2.67,-5.38,;-4,-6.15,;-5.33,-5.38,;-5.33,-3.84,;-4,-3.07,;-4,-1.53,;-2.67,-.76,;-2.67,.78,;-3.76,1.87,;-5.24,1.47,;-3.36,3.36,;-4.26,4.61,;-3.36,5.85,;-1.89,5.38,;-.56,6.15,;.77,5.38,;.77,3.84,;-.56,3.07,;-1.89,3.84,)| Show InChI InChI=1S/C22H20N4O3S/c27-14-3-5-15(6-4-14)29-19-9-17-13(2-1-7-24-17)8-18(19)26-22(28)16-11-30-20-10-23-12-25-21(16)20/h1-2,7-12,14-15,27H,3-6H2,(H,26,28)/t14-,15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
ROCHE PALO ALTO LLC; HOFFMANN-LA ROCHE INC. US Patent					Assay Description Purified recombinant IRAK-4 protein was incubated with 250 uM synthetic peptide(KKARFSRFAGSSPSQSSMVAR) in 30 ul of kinase buffer including (20 mM MOP...				US Patent US9255110 (2016) BindingDB Entry DOI: 10.7270/Q2XG9PZ2
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