Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM647519'   

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))	BDBM647519 (US20240025893, Example b-04-45) Show SMILES COc1ccc(cn1)C(=O)N1CCN([C@H]2C[C@H](C2)C(=O)Nc2nc3ccc(cc3s2)-c2cnc(CO[C@H]3CCC[C@@H]3O)nc2)[C@@H](C)C1 |r,wU:36.39,14.14,16.19,44.50,wD:40.45,(-14.35,6.26,;-15.34,5.08,;-14.57,3.75,;-13.03,3.75,;-12.26,2.41,;-13.03,1.08,;-14.57,1.08,;-15.34,2.41,;-12.26,-.25,;-13.03,-1.59,;-10.72,-.25,;-9.96,1.08,;-8.41,1.08,;-7.64,-.25,;-6.1,-.25,;-5.01,.83,;-3.92,-.25,;-5.01,-1.34,;-2.38,-.25,;-1.61,-1.59,;-1.61,1.08,;-.07,1.08,;.83,2.33,;2.3,1.85,;3.63,2.62,;4.97,1.85,;4.97,.31,;3.63,-.46,;2.3,.31,;.83,-.17,;6.3,-.46,;6.3,-2,;7.63,-2.77,;8.97,-2,;10.3,-2.77,;11.63,-2,;12.97,-2.77,;14.43,-2.29,;15.34,-3.54,;14.43,-4.79,;12.97,-4.31,;11.63,-5.08,;8.97,-.46,;7.63,.31,;-8.41,-1.59,;-7.64,-2.92,;-9.96,-1.59,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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