Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM302939'   

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))	BDBM302939 (US9598440, 77) Show SMILES Cc1cc(Nc2ncc(-c3nc4ccncc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)[nH+]2)ccn1 |r| Show InChI InChI=1S/C22H23N7O3S/c1-11-6-13(2-5-24-11)26-22-25-8-14(21-28-15-3-4-23-9-17(15)33-21)20(29-22)27-16-7-12(10-30)18(31)19(16)32/h2-6,8-9,12,16,18-19,30-32H,7,10H2,1H3,(H2,24,25,26,27,29)/p+1/t12-,16-,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Procedure: A 20 μl reaction mixture contains 10 mM TriHCl, pH 7.2, 0.5 nM GST tagged IRAK4 (SignalChem), 100 nM fluorescent peptide substrate (R...				US Patent US9598440 (2017) BindingDB Entry DOI: 10.7270/Q2XG9T6V
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