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 = 'BDBM347822'   

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))	BDBM347822 (US9790221, Compound 28) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)(CCl)C2)n1 |(3.14,5.83,;1.65,6.23,;.74,4.98,;-.72,5.46,;-.72,7,;.75,7.48,;-2.06,4.7,;-3.39,5.47,;-4.72,4.7,;-4.73,3.16,;-3.4,2.39,;-2.06,3.16,;-3.4,.85,;-4.73,.08,;-4.74,-1.46,;-3.41,-2.23,;-3.41,-3.77,;-4.66,-4.67,;-4.19,-6.14,;-2.65,-6.14,;-1.88,-7.48,;-2.17,-4.68,;-2.07,-1.46,;-.74,-2.24,;.6,-1.47,;2.08,-1.87,;2.48,-.39,;2.89,1.1,;4.37,.7,;3.97,-.79,;4.74,-2.12,;1,.02,;-2.07,.08,)| Show InChI InChI=1S/C24H27ClN8/c1-32-12-18(9-28-32)16-4-3-5-17(6-16)22-27-11-21(19-10-29-33(2)13-19)23(31-22)30-20-7-24(8-20,14-25)15-26/h3-6,9-13,20H,7-8,14-15,26H2,1-2H3,(H,27,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	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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