Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 1 [194-712]' and Ligand = 'BDBM348025'   

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 1 [194-712] (Homo sapiens (Human))	BDBM348025 (US9790221, Compound 233) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)N2CCOCC2)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;6,2.38,;4.67,3.15,;3.33,2.38,;-3.33,.07,)| Show InChI InChI=1S/C28H34N8O/c1-34-18-22(15-30-34)20-4-3-5-21(14-20)27-29-17-26(23-16-31-35(2)19-23)28(33-27)32-24-6-8-25(9-7-24)36-10-12-37-13-11-36/h3-5,14-19,24-25H,6-13H2,1-2H3,(H,29,32,33)/t24-,25-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)). In this assay, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
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