Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50095472'   

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))	BDBM50095472 (CHEMBL3590476 | US10329294, Example 280) Show SMILES COCc1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C19H26N8O2/c1-26-10-15(16(25-26)11-29-2)23-19(28)12-9-21-27-8-7-17(24-18(12)27)22-14-6-4-3-5-13(14)20/h7-10,13-14H,3-6,11,20H2,1-2H3,(H,22,24)(H,23,28)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50095472 (CHEMBL3590476 | US10329294, Example 280) Show SMILES COCc1nn(C)cc1NC(=O)c1cnn2ccc(N[C@@H]3CCCC[C@@H]3N)nc12 |r| Show InChI InChI=1S/C19H26N8O2/c1-26-10-15(16(25-26)11-29-2)23-19(28)12-9-21-27-8-7-17(24-18(12)27)22-14-6-4-3-5-13(14)20/h7-10,13-14H,3-6,11,20H2,1-2H3,(H,22,24)(H,23,28)/t13-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of human IRAK4 assessed as phosphorylation of fluorescent peptide substrate after 30 mins by fluorescent polarization reader				ACS Med Chem Lett 6: 683-8 (2015) Article DOI: 10.1021/acsmedchemlett.5b00107 BindingDB Entry DOI: 10.7270/Q2QF8VNH
					More data for this Ligand-Target Pair