Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM643825'   

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))	BDBM643825 (US11866405, Example 95) Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)OC(C)=O |r,wU:26.33,wD:33.38,23.26,(5.42,-2.78,;5.42,-1.24,;4.08,-.47,;2.75,-1.24,;1.42,-.47,;-.05,-.94,;-.95,.3,;-.05,1.55,;1.42,1.07,;2.75,1.84,;4.08,1.07,;5.42,1.84,;5.42,3.38,;6.75,1.07,;8.08,1.84,;8.25,3.38,;9.75,3.7,;10.52,2.36,;12.03,2.04,;12.5,.58,;11.47,-.57,;9.97,-.25,;9.49,1.22,;-2.49,.3,;-3.26,1.64,;-4.8,1.64,;-5.57,.3,;-4.8,-1.03,;-3.26,-1.03,;-7.11,.3,;-7.88,1.64,;-7.88,-1.03,;-7.11,-2.36,;-9.42,-1.03,;-10.19,.3,;-10.19,-2.36,;-11.73,-2.36,;-12.5,-3.7,;-12.5,-1.03,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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