Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM639198'   

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))	BDBM639198 (4-(((1r,4S)-4-ethoxycyclohexyl)ethynyl)-7-isopropo...) Show SMILES CCO[C@H]1CC[C@@H](CC1)C#Cc1cnc(OC[C@@H]2CCC(=O)N2)c2cc(OC(C)C)c(cc12)C(N)=O |r,wU:17.17,6.9,wD:3.2,(-11.09,-.71,;-9.55,-.71,;-8.78,-2.04,;-7.24,-2.04,;-6.47,-3.38,;-4.93,-3.38,;-4.16,-2.04,;-4.93,-.71,;-6.47,-.71,;-2.62,-2.04,;-1.08,-2.04,;.46,-2.04,;1.23,-3.38,;2.77,-3.38,;3.54,-2.04,;5.08,-2.04,;5.85,-3.38,;7.39,-3.38,;8.29,-4.62,;9.76,-4.15,;9.76,-2.61,;11.09,-1.84,;8.29,-2.13,;2.77,-.71,;3.54,.62,;2.77,1.96,;3.54,3.29,;5.08,3.29,;5.85,4.62,;5.85,1.96,;1.23,1.96,;.46,.62,;1.23,-.71,;.46,3.29,;1.23,4.62,;-1.08,3.29,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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