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 = 'BDBM348007'   

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))	BDBM348007 (US9790221, Compound 215) Show SMILES Cc1ccc(cn1)-c1cnc(nc1NC1CCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C26H29N7O2S/c1-18-7-8-21(14-27-18)24-16-28-25(20-6-4-5-19(13-20)22-15-29-32(2)17-22)31-26(24)30-23-9-11-33(12-10-23)36(3,34)35/h4-8,13-17,23H,9-12H2,1-3H3,(H,28,30,31)	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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