Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50246814'   

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))	BDBM50246814 (CHEMBL4085735) Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)| Show InChI InChI=1S/C17H27N5/c1-11(2)14-9-18-16-15(14)17(20-10-19-16)21-12-5-7-13(8-6-12)22(3)4/h9-13H,5-8H2,1-4H3,(H2,18,19,20,21)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	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...				Bioorg Med Chem 26: 913-924 (2018) Article DOI: 10.1016/j.bmc.2018.01.008 BindingDB Entry DOI: 10.7270/Q2MW2KTQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246814 (CHEMBL4085735) Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)| Show InChI InChI=1S/C17H27N5/c1-11(2)14-9-18-16-15(14)17(20-10-19-16)21-12-5-7-13(8-6-12)22(3)4/h9-13H,5-8H2,1-4H3,(H2,18,19,20,21)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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))	BDBM50246814 (CHEMBL4085735) Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)| Show InChI InChI=1S/C17H27N5/c1-11(2)14-9-18-16-15(14)17(20-10-19-16)21-12-5-7-13(8-6-12)22(3)4/h9-13H,5-8H2,1-4H3,(H2,18,19,20,21)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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...				Bioorg Med Chem 26: 913-924 (2018) Article DOI: 10.1016/j.bmc.2018.01.008 BindingDB Entry DOI: 10.7270/Q2MW2KTQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246814 (CHEMBL4085735) Show SMILES CC(C)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(7.92,-21.16,;6.89,-22.31,;5.39,-22.01,;7.38,-23.77,;6.48,-25.04,;7.39,-26.27,;8.86,-25.79,;10.2,-26.56,;11.53,-25.79,;11.53,-24.24,;10.19,-23.48,;10.19,-21.94,;11.52,-21.17,;11.51,-19.63,;12.85,-18.86,;14.19,-19.63,;14.18,-21.17,;12.85,-21.94,;15.52,-18.87,;16.85,-19.64,;15.53,-17.33,;8.86,-24.24,)| Show InChI InChI=1S/C17H27N5/c1-11(2)14-9-18-16-15(14)17(20-10-19-16)21-12-5-7-13(8-6-12)22(3)4/h9-13H,5-8H2,1-4H3,(H2,18,19,20,21)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	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