Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM639251'   

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))	BDBM639251 (1-(((S)-4,4-difluoro-5-oxopyrrolidin-2-yl)methoxy)...) Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)ncc(-c3cnn(c3)[C@@H]3C[C@@H](C3)N(C)C)c2cc1C(N)=O |r,wU:10.9,26.27,28.32,(4.85,5.94,;4.08,4.6,;4.85,3.27,;2.54,4.6,;1.77,3.27,;2.54,1.94,;1.77,.6,;2.54,-.73,;4.08,-.73,;4.85,-2.07,;6.39,-2.07,;7.29,-3.31,;8.76,-2.84,;10.25,-3.23,;9.53,-4.17,;8.76,-1.3,;10.09,-.53,;7.29,-.82,;1.77,-2.07,;.23,-2.07,;-.54,-.73,;-2.08,-.73,;-2.99,.51,;-4.45,.04,;-4.45,-1.5,;-2.99,-1.98,;-5.78,-2.27,;-7.27,-1.87,;-7.67,-3.36,;-6.18,-3.76,;-8.76,-4.45,;-10.25,-4.05,;-8.36,-5.94,;.23,.6,;-.54,1.94,;.23,3.27,;-.54,4.6,;.23,5.94,;-2.08,4.6,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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