Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50246772'   

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))	BDBM50246772 (CHEMBL4086115) Show SMILES CN(C)C(=O)C1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.57,-15.78,;20.58,-14.24,;21.92,-13.48,;19.26,-13.46,;19.27,-11.92,;17.92,-14.22,;17.91,-15.76,;16.58,-16.52,;15.25,-15.74,;15.25,-14.21,;16.59,-13.44,;13.92,-16.51,;12.58,-15.74,;11.24,-16.5,;11.25,-18.05,;12.58,-18.81,;13.91,-18.05,;9.92,-18.82,;9.92,-20.36,;11.26,-21.12,;11.26,-22.67,;9.92,-23.44,;8.59,-22.67,;7.12,-23.15,;6.21,-21.91,;7.11,-20.65,;6.62,-19.19,;7.64,-18.04,;7.16,-16.58,;5.65,-16.27,;4.63,-17.42,;5.11,-18.88,;8.58,-21.12,)| Show InChI InChI=1S/C25H38N6O2/c1-30(2)25(32)18-7-11-31(12-8-18)20-5-3-19(4-6-20)29-24-22-21(17-9-13-33-14-10-17)15-26-23(22)27-16-28-24/h15-20H,3-14H2,1-2H3,(H2,26,27,28,29)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculovirus expression system using 5-FAM-IPTSPITTTYFFFKKK-COOH as substrat...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246772 (CHEMBL4086115) Show SMILES CN(C)C(=O)C1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.57,-15.78,;20.58,-14.24,;21.92,-13.48,;19.26,-13.46,;19.27,-11.92,;17.92,-14.22,;17.91,-15.76,;16.58,-16.52,;15.25,-15.74,;15.25,-14.21,;16.59,-13.44,;13.92,-16.51,;12.58,-15.74,;11.24,-16.5,;11.25,-18.05,;12.58,-18.81,;13.91,-18.05,;9.92,-18.82,;9.92,-20.36,;11.26,-21.12,;11.26,-22.67,;9.92,-23.44,;8.59,-22.67,;7.12,-23.15,;6.21,-21.91,;7.11,-20.65,;6.62,-19.19,;7.64,-18.04,;7.16,-16.58,;5.65,-16.27,;4.63,-17.42,;5.11,-18.88,;8.58,-21.12,)| Show InChI InChI=1S/C25H38N6O2/c1-30(2)25(32)18-7-11-31(12-8-18)20-5-3-19(4-6-20)29-24-22-21(17-9-13-33-14-10-17)15-26-23(22)27-16-28-24/h15-20H,3-14H2,1-2H3,(H2,26,27,28,29)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimulated IRAK4 phosphorylation at Thr345/Ser346 residues preincubated fo...				J Med Chem 60: 10071-10091 (2017) Article DOI: 10.1021/acs.jmedchem.7b01290 BindingDB Entry DOI: 10.7270/Q2T72KWX
					More data for this Ligand-Target Pair