Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM643861'   

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))	BDBM643861 (US11866405, Example 113) Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H]1CC[C@H](O)C1 |r,wU:26.33,33.37,36.41,wD:23.26,(5.61,-9.99,;5.61,-8.45,;4.27,-7.68,;2.94,-8.45,;1.61,-7.68,;.14,-8.16,;-.76,-6.91,;.14,-5.66,;1.61,-6.14,;2.94,-5.37,;4.27,-6.14,;5.61,-5.37,;5.61,-3.83,;6.94,-6.14,;8.27,-5.37,;8.44,-3.84,;9.94,-3.52,;10.71,-4.85,;12.22,-5.17,;12.69,-6.64,;11.66,-7.78,;10.16,-7.46,;9.68,-6,;-2.3,-6.91,;-3.07,-5.58,;-4.61,-5.58,;-5.38,-6.91,;-4.61,-8.24,;-3.07,-8.24,;-6.92,-6.91,;-7.69,-5.58,;-7.69,-8.24,;-6.92,-9.58,;-9.23,-8.24,;-10.24,-7.08,;-11.66,-7.68,;-11.53,-9.21,;-12.69,-10.22,;-10.03,-9.56,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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