Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM50246783'   

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))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	8	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))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	8	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))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	34	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
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246783 (CHEMBL4081502) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOC3)c12 |r,wU:6.9,wD:3.2,(16.33,-18.27,;15,-17.5,;15.01,-15.96,;13.67,-18.26,;12.34,-17.49,;11,-18.26,;11.01,-19.8,;12.33,-20.57,;13.66,-19.8,;9.67,-20.57,;9.68,-22.11,;11.01,-22.87,;11.01,-24.42,;9.68,-25.19,;8.35,-24.42,;6.88,-24.9,;5.96,-23.67,;6.86,-22.41,;6.38,-20.95,;7.28,-19.69,;6.36,-18.45,;4.9,-18.94,;4.92,-20.47,;8.34,-22.88,)| Show InChI InChI=1S/C18H27N5O/c1-23(2)14-5-3-13(4-6-14)22-18-16-15(12-7-8-24-10-12)9-19-17(16)20-11-21-18/h9,11-14H,3-8,10H2,1-2H3,(H2,19,20,21,22)/t12?,13-,14-	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	34	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