Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50242706'   

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))	BDBM50242706 (CHEMBL4063472) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C1CC1 |r,wU:6.9,wD:3.2,(48.87,-34.99,;47.53,-34.22,;47.53,-32.68,;46.2,-34.99,;44.86,-34.23,;43.52,-35,;43.54,-36.53,;44.87,-37.3,;46.2,-36.53,;42.21,-37.31,;42.22,-38.85,;43.55,-39.61,;43.56,-41.16,;42.23,-41.93,;40.89,-41.17,;39.56,-41.94,;38.22,-41.17,;38.23,-39.63,;39.55,-38.86,;40.89,-39.62,;36.89,-38.86,;36.12,-37.53,;35.35,-38.86,)| Show InChI InChI=1S/C19H26N4/c1-23(2)16-8-6-15(7-9-16)22-19-17-11-14(13-3-4-13)5-10-18(17)20-12-21-19/h5,10-13,15-16H,3-4,6-9H2,1-2H3,(H,20,21,22)/t15-,16-	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	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of specific binding of [3H]NANM of sigma binding site in Guinea pig brain membranes				Bioorg Med Chem Lett 27: 2721-2726 (2017) Article DOI: 10.1016/j.bmcl.2017.04.050 BindingDB Entry DOI: 10.7270/Q2RR21NQ
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