Compile Data Set for Download or QSAR

Found 111 hits Enz. Inhib. hit(s) with all data for entry = 50003092   

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))	BDBM50466828 (CHEMBL4279192) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:6.9,21.25,wD:18.18,3.2,(25.83,-9.17,;24.5,-8.4,;24.5,-6.86,;23.16,-9.16,;21.83,-8.39,;20.49,-9.16,;20.49,-10.69,;21.83,-11.47,;23.16,-10.7,;19.16,-11.47,;19.17,-13.01,;20.5,-13.77,;20.51,-15.32,;19.17,-16.09,;17.84,-15.32,;16.38,-15.8,;15.47,-14.56,;16.37,-13.31,;16.36,-11.77,;17.69,-10.99,;17.69,-9.46,;16.35,-8.69,;15.02,-9.47,;15.02,-11.01,;16.35,-7.15,;17.68,-6.38,;15.01,-6.38,;17.83,-13.78,)| Show InChI InChI=1S/C21H32N6O/c1-27(2)16-9-7-15(8-10-16)26-21-18-17(11-23-20(18)24-12-25-21)13-3-5-14(6-4-13)19(22)28/h11-16H,3-10H2,1-2H3,(H2,22,28)(H2,23,24,25,26)/t13-,14-,15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	4	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246811 (CHEMBL4063689) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C)c12 |r,wU:6.9,wD:3.2,(14.98,-17.83,;13.65,-17.06,;13.66,-15.52,;12.32,-17.82,;10.98,-17.05,;9.64,-17.82,;9.65,-19.36,;10.98,-20.12,;12.31,-19.36,;8.32,-20.13,;8.32,-21.67,;9.66,-22.43,;9.66,-23.98,;8.33,-24.75,;6.99,-23.98,;5.53,-24.46,;4.61,-23.22,;5.51,-21.96,;5.03,-20.5,;6.99,-22.43,)| Show InChI InChI=1S/C15H23N5/c1-10-8-16-14-13(10)15(18-9-17-14)19-11-4-6-12(7-5-11)20(2)3/h8-9,11-12H,4-7H2,1-3H3,(H2,16,17,18,19)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	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	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...				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))	BDBM50246811 (CHEMBL4063689) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C)c12 |r,wU:6.9,wD:3.2,(14.98,-17.83,;13.65,-17.06,;13.66,-15.52,;12.32,-17.82,;10.98,-17.05,;9.64,-17.82,;9.65,-19.36,;10.98,-20.12,;12.31,-19.36,;8.32,-20.13,;8.32,-21.67,;9.66,-22.43,;9.66,-23.98,;8.33,-24.75,;6.99,-23.98,;5.53,-24.46,;4.61,-23.22,;5.51,-21.96,;5.03,-20.5,;6.99,-22.43,)| Show InChI InChI=1S/C15H23N5/c1-10-8-16-14-13(10)15(18-9-17-14)19-11-4-6-12(7-5-11)20(2)3/h8-9,11-12H,4-7H2,1-3H3,(H2,16,17,18,19)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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))	BDBM50246813 (CHEMBL4089379) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(14.29,-16.13,;12.96,-15.36,;12.96,-13.82,;11.62,-16.12,;10.29,-15.35,;8.95,-16.12,;8.96,-17.66,;10.29,-18.42,;11.62,-17.66,;7.63,-18.43,;7.63,-19.96,;8.97,-20.73,;8.97,-22.28,;7.64,-23.05,;6.3,-22.28,;4.84,-22.76,;3.92,-21.52,;4.82,-20.26,;4.34,-18.8,;5.35,-17.65,;4.87,-16.2,;3.37,-15.88,;2.34,-17.03,;2.82,-18.49,;6.3,-20.73,)| Show InChI InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246813 (CHEMBL4089379) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:6.9,wD:3.2,(14.29,-16.13,;12.96,-15.36,;12.96,-13.82,;11.62,-16.12,;10.29,-15.35,;8.95,-16.12,;8.96,-17.66,;10.29,-18.42,;11.62,-17.66,;7.63,-18.43,;7.63,-19.96,;8.97,-20.73,;8.97,-22.28,;7.64,-23.05,;6.3,-22.28,;4.84,-22.76,;3.92,-21.52,;4.82,-20.26,;4.34,-18.8,;5.35,-17.65,;4.87,-16.2,;3.37,-15.88,;2.34,-17.03,;2.82,-18.49,;6.3,-20.73,)| Show InChI InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6.20	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50466820 (CHEMBL4294023) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.18,wD:12.11,(14.12,-7.25,;13.09,-8.4,;11.59,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.71,-5.71,;21.7,-4.96,;23.02,-5.74,;24.37,-5,;24.39,-3.45,;23.07,-2.65,;21.72,-3.41,;15.05,-10.33,)| Show InChI InChI=1S/C19H29N5O/c1-14(2)17-7-8-24-18(17)19(20-13-21-24)22-15-3-5-16(6-4-15)23-9-11-25-12-10-23/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,20,21,22)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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))	BDBM50466820 (CHEMBL4294023) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.18,wD:12.11,(14.12,-7.25,;13.09,-8.4,;11.59,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.71,-5.71,;21.7,-4.96,;23.02,-5.74,;24.37,-5,;24.39,-3.45,;23.07,-2.65,;21.72,-3.41,;15.05,-10.33,)| Show InChI InChI=1S/C19H29N5O/c1-14(2)17-7-8-24-18(17)19(20-13-21-24)22-15-3-5-16(6-4-15)23-9-11-25-12-10-23/h7-8,13-16H,3-6,9-12H2,1-2H3,(H,20,21,22)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	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))	BDBM50466821 (CHEMBL4280559) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H](C)CC(N)=O)c12 |r,wU:10.10,wD:13.17,25.27,(23.43,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O3/c1-15(13-19(23)30)18-7-8-29-20(18)21(24-14-25-29)26-16-3-5-17(6-4-16)27-9-11-28(12-10-27)22(31)32-2/h7-8,14-17H,3-6,9-13H2,1-2H3,(H2,23,30)(H,24,25,26)/t15-,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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))	BDBM50466821 (CHEMBL4280559) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H](C)CC(N)=O)c12 |r,wU:10.10,wD:13.17,25.27,(23.43,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O3/c1-15(13-19(23)30)18-7-8-29-20(18)21(24-14-25-29)26-16-3-5-17(6-4-16)27-9-11-28(12-10-27)22(31)32-2/h7-8,14-17H,3-6,9-13H2,1-2H3,(H2,23,30)(H,24,25,26)/t15-,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	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))	BDBM50466834 (CHEMBL4293607) Show SMILES C[C@H](CC(N)=O)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:18.21,wD:15.14,1.0,(7.98,-9.32,;9.49,-9.63,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;23.45,-4.73,;22.16,-2.39,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	21	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50466834 (CHEMBL4293607) Show SMILES C[C@H](CC(N)=O)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:18.21,wD:15.14,1.0,(7.98,-9.32,;9.49,-9.63,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;23.45,-4.73,;22.16,-2.39,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	21	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged IRAK1 (194 to end residues) expressed in baculovirus infected Sf21 insect cells in presence of...				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))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	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))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length IRAK4 expressed in baculovirus infected Sf21 insect cells in presence of 5000 uM A...				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))	BDBM50466827 (CHEMBL4288305) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C(C)C)c12 |r,wU:10.10,wD:13.17,(23.42,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;11.44,-11.56,)| Show InChI InChI=1S/C21H32N6O2/c1-15(2)18-8-9-27-19(18)20(22-14-23-27)24-16-4-6-17(7-5-16)25-10-12-26(13-11-25)21(28)29-3/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,22,23,24)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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))	BDBM50466827 (CHEMBL4288305) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C(C)C)c12 |r,wU:10.10,wD:13.17,(23.42,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;11.44,-11.56,)| Show InChI InChI=1S/C21H32N6O2/c1-15(2)18-8-9-27-19(18)20(22-14-23-27)24-16-4-6-17(7-5-16)25-10-12-26(13-11-25)21(28)29-3/h8-9,14-17H,4-7,10-13H2,1-3H3,(H,22,23,24)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	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
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/t19-,20-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system in presence of 25 u...				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))	BDBM50466817 (CHEMBL4294631) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:15.18,wD:12.11,(6.08,-6.23,;5.05,-7.38,;3.54,-7.07,;5.54,-8.85,;4.64,-10.09,;5.55,-11.34,;7.01,-10.85,;8.34,-11.62,;9.68,-10.85,;9.68,-9.3,;8.34,-8.54,;8.34,-7,;9.67,-6.22,;11.01,-7,;12.33,-6.23,;12.34,-4.69,;11,-3.92,;9.66,-4.69,;13.66,-3.93,;13.67,-2.39,;14.98,-4.7,;7,-9.32,)| Show InChI InChI=1S/C17H27N5/c1-12(2)15-9-10-22-16(15)17(18-11-19-22)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	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
Cyclin-C (Homo sapiens (Human))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged CDK8/cyclin C expressed in baculovirus expression system in presence of 5 uM ATP				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))	BDBM50466817 (CHEMBL4294631) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:15.18,wD:12.11,(6.08,-6.23,;5.05,-7.38,;3.54,-7.07,;5.54,-8.85,;4.64,-10.09,;5.55,-11.34,;7.01,-10.85,;8.34,-11.62,;9.68,-10.85,;9.68,-9.3,;8.34,-8.54,;8.34,-7,;9.67,-6.22,;11.01,-7,;12.33,-6.23,;12.34,-4.69,;11,-3.92,;9.66,-4.69,;13.66,-3.93,;13.67,-2.39,;14.98,-4.7,;7,-9.32,)| Show InChI InChI=1S/C17H27N5/c1-12(2)15-9-10-22-16(15)17(18-11-19-22)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	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))	BDBM50466832 (CHEMBL4285338) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:6.9,21.25,wD:3.2,18.18,(21.65,-3.4,;21.64,-4.93,;22.95,-5.7,;20.32,-5.69,;18.98,-4.92,;17.65,-5.69,;17.65,-7.22,;18.99,-7.99,;20.3,-7.23,;16.33,-7.99,;16.33,-9.53,;17.66,-10.29,;17.67,-11.83,;16.34,-12.6,;15.01,-11.84,;13.55,-12.32,;12.64,-11.08,;13.54,-9.83,;12.75,-8.5,;13.52,-7.15,;12.75,-5.82,;11.2,-5.82,;10.43,-7.17,;11.21,-8.51,;10.43,-4.49,;8.9,-4.5,;11.2,-3.16,;15,-10.3,)| Show InChI InChI=1S/C21H32N6O/c1-26(2)17-9-7-16(8-10-17)25-21-19-18(11-12-27(19)24-13-23-21)14-3-5-15(6-4-14)20(22)28/h11-17H,3-10H2,1-2H3,(H2,22,28)(H,23,24,25)/t14-,15-,16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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))	BDBM50466832 (CHEMBL4285338) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:6.9,21.25,wD:3.2,18.18,(21.65,-3.4,;21.64,-4.93,;22.95,-5.7,;20.32,-5.69,;18.98,-4.92,;17.65,-5.69,;17.65,-7.22,;18.99,-7.99,;20.3,-7.23,;16.33,-7.99,;16.33,-9.53,;17.66,-10.29,;17.67,-11.83,;16.34,-12.6,;15.01,-11.84,;13.55,-12.32,;12.64,-11.08,;13.54,-9.83,;12.75,-8.5,;13.52,-7.15,;12.75,-5.82,;11.2,-5.82,;10.43,-7.17,;11.21,-8.51,;10.43,-4.49,;8.9,-4.5,;11.2,-3.16,;15,-10.3,)| Show InChI InChI=1S/C21H32N6O/c1-26(2)17-9-7-16(8-10-17)25-21-19-18(11-12-27(19)24-13-23-21)14-3-5-15(6-4-14)20(22)28/h11-17H,3-10H2,1-2H3,(H2,22,28)(H,23,24,25)/t14-,15-,16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	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))	BDBM50466837 (CHEMBL4276955) Show SMILES CC(C)n1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(6.08,-6.23,;5.05,-7.38,;3.54,-7.07,;5.54,-8.85,;4.64,-10.09,;5.55,-11.34,;7.01,-10.85,;8.34,-11.62,;9.68,-10.85,;9.68,-9.3,;8.34,-8.54,;8.34,-7,;9.67,-6.23,;9.66,-4.69,;11,-3.92,;12.34,-4.69,;12.33,-6.23,;11.01,-7,;13.66,-3.93,;13.67,-2.39,;14.98,-4.7,;7,-9.32,)| Show InChI InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	69	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50466837 (CHEMBL4276955) Show SMILES CC(C)n1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:12.11,wD:15.18,(6.08,-6.23,;5.05,-7.38,;3.54,-7.07,;5.54,-8.85,;4.64,-10.09,;5.55,-11.34,;7.01,-10.85,;8.34,-11.62,;9.68,-10.85,;9.68,-9.3,;8.34,-8.54,;8.34,-7,;9.67,-6.23,;9.66,-4.69,;11,-3.92,;12.34,-4.69,;12.33,-6.23,;11.01,-7,;13.66,-3.93,;13.67,-2.39,;14.98,-4.7,;7,-9.32,)| Show InChI InChI=1S/C17H27N5/c1-12(2)22-10-9-15-16(22)17(19-11-18-15)20-13-5-7-14(8-6-13)21(3)4/h9-14H,5-8H2,1-4H3,(H,18,19,20)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	69	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/t19-,20-	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged IRAK1 (194 to end residues) expressed in baculovirus infected Sf21 insect cells in presence of...				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))	BDBM50466826 (CHEMBL4282348) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:24.25,9.9,wD:12.16,27.32,(22.23,-3.91,;20.91,-3.12,;20.94,-1.58,;19.56,-3.86,;18.24,-3.07,;16.89,-3.82,;16.87,-5.37,;18.19,-6.16,;19.54,-5.41,;15.54,-6.12,;15.54,-7.66,;14.22,-8.43,;12.88,-7.66,;12.88,-6.12,;14.22,-5.33,;11.55,-8.43,;11.55,-9.97,;12.89,-10.73,;12.89,-12.28,;11.56,-13.06,;10.22,-12.28,;8.76,-12.77,;7.85,-11.53,;8.75,-10.28,;8.26,-8.81,;6.77,-8.5,;6.29,-7.04,;7.32,-5.89,;8.82,-6.21,;9.3,-7.66,;6.84,-4.42,;7.87,-3.28,;5.33,-4.11,;10.22,-10.75,)| Show InChI InChI=1S/C25H37N7O2/c1-17(33)30-12-14-31(15-13-30)21-8-6-20(7-9-21)29-25-23-22(10-11-32(23)28-16-27-25)18-2-4-19(5-3-18)24(26)34/h10-11,16,18-21H,2-9,12-15H2,1H3,(H2,26,34)(H,27,28,29)/t18-,19-,20-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	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))	BDBM50466826 (CHEMBL4282348) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H]3CC[C@@H](CC3)C(N)=O)c12 |r,wU:24.25,9.9,wD:12.16,27.32,(22.23,-3.91,;20.91,-3.12,;20.94,-1.58,;19.56,-3.86,;18.24,-3.07,;16.89,-3.82,;16.87,-5.37,;18.19,-6.16,;19.54,-5.41,;15.54,-6.12,;15.54,-7.66,;14.22,-8.43,;12.88,-7.66,;12.88,-6.12,;14.22,-5.33,;11.55,-8.43,;11.55,-9.97,;12.89,-10.73,;12.89,-12.28,;11.56,-13.06,;10.22,-12.28,;8.76,-12.77,;7.85,-11.53,;8.75,-10.28,;8.26,-8.81,;6.77,-8.5,;6.29,-7.04,;7.32,-5.89,;8.82,-6.21,;9.3,-7.66,;6.84,-4.42,;7.87,-3.28,;5.33,-4.11,;10.22,-10.75,)| Show InChI InChI=1S/C25H37N7O2/c1-17(33)30-12-14-31(15-13-30)21-8-6-20(7-9-21)29-25-23-22(10-11-32(23)28-16-27-25)18-2-4-19(5-3-18)24(26)34/h10-11,16,18-21H,2-9,12-15H2,1H3,(H2,26,34)(H,27,28,29)/t18-,19-,20-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	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))	BDBM50466823 (CHEMBL4286802) Show SMILES C1CC(CCO1)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:18.22,wD:15.15,(13.65,-5.79,;14.12,-7.25,;13.09,-8.4,;11.59,-8.09,;11.11,-6.62,;12.14,-5.47,;13.57,-9.86,;12.68,-11.11,;13.58,-12.35,;15.04,-11.87,;16.38,-12.64,;17.72,-11.87,;17.71,-10.32,;16.38,-9.55,;16.37,-8.01,;17.7,-7.24,;19.04,-8.01,;20.36,-7.25,;20.36,-5.7,;19.04,-4.92,;17.7,-5.71,;21.69,-4.95,;23.01,-5.74,;24.36,-5,;24.38,-3.45,;23.05,-2.65,;21.71,-3.41,;15.04,-10.33,)| Show InChI InChI=1S/C21H31N5O2/c1-3-18(25-9-13-28-14-10-25)4-2-17(1)24-21-20-19(16-6-11-27-12-7-16)5-8-26(20)23-15-22-21/h5,8,15-18H,1-4,6-7,9-14H2,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	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))	BDBM50466823 (CHEMBL4286802) Show SMILES C1CC(CCO1)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:18.22,wD:15.15,(13.65,-5.79,;14.12,-7.25,;13.09,-8.4,;11.59,-8.09,;11.11,-6.62,;12.14,-5.47,;13.57,-9.86,;12.68,-11.11,;13.58,-12.35,;15.04,-11.87,;16.38,-12.64,;17.72,-11.87,;17.71,-10.32,;16.38,-9.55,;16.37,-8.01,;17.7,-7.24,;19.04,-8.01,;20.36,-7.25,;20.36,-5.7,;19.04,-4.92,;17.7,-5.71,;21.69,-4.95,;23.01,-5.74,;24.36,-5,;24.38,-3.45,;23.05,-2.65,;21.71,-3.41,;15.04,-10.33,)| Show InChI InChI=1S/C21H31N5O2/c1-3-18(25-9-13-28-14-10-25)4-2-17(1)24-21-20-19(16-6-11-27-12-7-16)5-8-26(20)23-15-22-21/h5,8,15-18H,1-4,6-7,9-14H2,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	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))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/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	93	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))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/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	94	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))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/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	94	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged full length IRAK4 expressed in baculovirus infected Sf21 insect cells in presence of 5000 uM A...				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))	BDBM50466838 (CHEMBL4282412) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:3.2,wD:6.9,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;12.32,-6.23,;11.01,-7,;9.67,-6.22,;9.66,-4.69,;11,-3.92,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.33,;4.64,-10.09,;5.54,-8.84,;5.05,-7.38,;6.08,-6.23,;5.6,-4.77,;4.1,-4.45,;3.07,-5.6,;3.55,-7.07,;7,-9.31,)| Show InChI InChI=1S/C19H29N5O/c1-23(2)16-5-3-15(4-6-16)22-19-18-17(14-8-11-25-12-9-14)7-10-24(18)21-13-20-19/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,20,21,22)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	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))	BDBM50466838 (CHEMBL4282412) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:3.2,wD:6.9,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;12.32,-6.23,;11.01,-7,;9.67,-6.22,;9.66,-4.69,;11,-3.92,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.33,;4.64,-10.09,;5.54,-8.84,;5.05,-7.38,;6.08,-6.23,;5.6,-4.77,;4.1,-4.45,;3.07,-5.6,;3.55,-7.07,;7,-9.31,)| Show InChI InChI=1S/C19H29N5O/c1-23(2)16-5-3-15(4-6-16)22-19-18-17(14-8-11-25-12-9-14)7-10-24(18)21-13-20-19/h7,10,13-16H,3-6,8-9,11-12H2,1-2H3,(H,20,21,22)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	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
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/t19-,20-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CLK4 expressed in baculovirus expression system in presence of 5 uM ATP				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
Cyclin-C (Homo sapiens (Human))	BDBM50466825 (CHEMBL4290222) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C3CCOCC3)c12 |r,wU:9.9,wD:12.16,(27.06,-3.5,;25.74,-2.71,;25.76,-1.17,;24.39,-3.45,;23.06,-2.65,;21.72,-3.41,;21.7,-4.95,;23.02,-5.74,;24.37,-5,;20.37,-5.7,;20.37,-7.25,;19.05,-8.02,;17.71,-7.24,;17.7,-5.71,;19.05,-4.92,;16.38,-8.02,;16.38,-9.56,;17.72,-10.32,;17.72,-11.87,;16.39,-12.64,;15.05,-11.87,;13.59,-12.35,;12.68,-11.11,;13.58,-9.86,;13.09,-8.4,;14.13,-7.25,;13.65,-5.8,;12.15,-5.47,;11.12,-6.62,;11.6,-8.09,;15.05,-10.33,)| Show InChI InChI=1S/C23H34N6O2/c1-17(30)27-10-12-28(13-11-27)20-4-2-19(3-5-20)26-23-22-21(18-7-14-31-15-8-18)6-9-29(22)25-16-24-23/h6,9,16,18-20H,2-5,7-8,10-15H2,1H3,(H,24,25,26)/t19-,20-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged CDK8/cyclin C expressed in baculovirus expression system in presence of 5 uM ATP				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))	BDBM50466821 (CHEMBL4280559) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H](C)CC(N)=O)c12 |r,wU:10.10,wD:13.17,25.27,(23.43,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O3/c1-15(13-19(23)30)18-7-8-29-20(18)21(24-14-25-29)26-16-3-5-17(6-4-16)27-9-11-28(12-10-27)22(31)32-2/h7-8,14-17H,3-6,9-13H2,1-2H3,(H2,23,30)(H,24,25,26)/t15-,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	138	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...				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))	BDBM50466821 (CHEMBL4280559) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc([C@H](C)CC(N)=O)c12 |r,wU:10.10,wD:13.17,25.27,(23.43,-6.27,;23.45,-4.73,;22.13,-3.93,;22.16,-2.39,;20.78,-4.68,;19.46,-3.88,;18.11,-4.64,;18.09,-6.18,;19.41,-6.97,;20.76,-6.23,;16.77,-6.93,;16.76,-8.48,;15.44,-9.25,;14.1,-8.47,;14.1,-6.94,;15.44,-6.15,;12.77,-9.25,;12.77,-10.79,;14.11,-11.55,;14.12,-13.1,;12.78,-13.87,;11.44,-13.1,;9.98,-13.58,;9.07,-12.34,;9.97,-11.09,;9.49,-9.63,;7.98,-9.32,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O3/c1-15(13-19(23)30)18-7-8-29-20(18)21(24-14-25-29)26-16-3-5-17(6-4-16)27-9-11-28(12-10-27)22(31)32-2/h7-8,14-17H,3-6,9-13H2,1-2H3,(H2,23,30)(H,24,25,26)/t15-,16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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...				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))	BDBM50466834 (CHEMBL4293607) Show SMILES C[C@H](CC(N)=O)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:18.21,wD:15.14,1.0,(7.98,-9.32,;9.49,-9.63,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;23.45,-4.73,;22.16,-2.39,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	141	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...				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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50466834 (CHEMBL4293607) Show SMILES C[C@H](CC(N)=O)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:18.21,wD:15.14,1.0,(7.98,-9.32,;9.49,-9.63,;10.51,-8.48,;10.03,-7.02,;11.05,-5.87,;8.52,-6.71,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;23.45,-4.73,;22.16,-2.39,;11.44,-11.56,)| Show InChI InChI=1S/C22H33N7O2/c1-15(13-20(23)31)19-7-8-29-21(19)22(24-14-25-29)26-17-3-5-18(6-4-17)28-11-9-27(10-12-28)16(2)30/h7-8,14-15,17-18H,3-6,9-13H2,1-2H3,(H2,23,31)(H,24,25,26)/t15-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	141	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...				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				3D Structure (crystal)
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human full length GST-tagged CLK4 expressed in baculovirus expression system in presence of 5 uM ATP				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
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged CLK2 catalytic domain (137 to 498 residues) expressed in baculovirus expression system in presence of 25 u...				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))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	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...				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))	BDBM50466824 (CHEMBL4278882) Show SMILES CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(C)=O)c12 |r,wU:15.18,wD:12.11,(14.13,-7.25,;13.09,-8.4,;11.6,-8.09,;13.58,-9.86,;12.68,-11.11,;13.59,-12.35,;15.05,-11.87,;16.39,-12.64,;17.72,-11.87,;17.72,-10.32,;16.38,-9.56,;16.38,-8.02,;17.71,-7.24,;19.05,-8.02,;20.37,-7.25,;20.37,-5.7,;19.05,-4.92,;17.7,-5.71,;21.7,-4.95,;21.72,-3.41,;23.07,-2.65,;24.39,-3.45,;24.37,-5,;23.02,-5.74,;25.74,-2.71,;27.06,-3.5,;25.76,-1.17,;15.05,-10.33,)| Show InChI InChI=1S/C21H32N6O/c1-15(2)19-8-9-27-20(19)21(22-14-23-27)24-17-4-6-18(7-5-17)26-12-10-25(11-13-26)16(3)28/h8-9,14-15,17-18H,4-7,10-13H2,1-3H3,(H,22,23,24)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	195	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...				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))	BDBM50466814 (CHEMBL4290202) Show SMILES CNC(=O)C[C@@H](C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(=O)OC)c12 |r,wU:19.22,wD:16.15,5.5,(12.56,-6.18,;11.05,-5.87,;10.03,-7.02,;8.52,-6.71,;10.51,-8.48,;9.49,-9.63,;7.98,-9.32,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;22.16,-2.39,;23.45,-4.73,;23.43,-6.27,;11.44,-11.56,)| Show InChI InChI=1S/C23H35N7O3/c1-16(14-20(31)24-2)19-8-9-30-21(19)22(25-15-26-30)27-17-4-6-18(7-5-17)28-10-12-29(13-11-28)23(32)33-3/h8-9,15-18H,4-7,10-14H2,1-3H3,(H,24,31)(H,25,26,27)/t16-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	207	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))	BDBM50466814 (CHEMBL4290202) Show SMILES CNC(=O)C[C@@H](C)c1ccn2ncnc(N[C@H]3CC[C@@H](CC3)N3CCN(CC3)C(=O)OC)c12 |r,wU:19.22,wD:16.15,5.5,(12.56,-6.18,;11.05,-5.87,;10.03,-7.02,;8.52,-6.71,;10.51,-8.48,;9.49,-9.63,;7.98,-9.32,;9.97,-11.09,;9.07,-12.34,;9.98,-13.58,;11.44,-13.1,;12.78,-13.87,;14.12,-13.1,;14.11,-11.55,;12.77,-10.79,;12.77,-9.25,;14.1,-8.47,;15.44,-9.25,;16.76,-8.48,;16.77,-6.93,;15.44,-6.15,;14.1,-6.94,;18.09,-6.18,;18.11,-4.64,;19.46,-3.88,;20.78,-4.68,;20.76,-6.23,;19.41,-6.97,;22.13,-3.93,;22.16,-2.39,;23.45,-4.73,;23.43,-6.27,;11.44,-11.56,)| Show InChI InChI=1S/C23H35N7O3/c1-16(14-20(31)24-2)19-8-9-30-21(19)22(25-15-26-30)27-17-4-6-18(7-5-17)28-10-12-29(13-11-28)23(32)33-3/h8-9,15-18H,4-7,10-14H2,1-3H3,(H,24,31)(H,25,26,27)/t16-,17-,18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	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))	BDBM50466831 (CHEMBL4284323) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnn2ccc(C)c12 |r,wU:3.2,wD:6.9,(13.67,-2.39,;13.66,-3.93,;14.98,-4.7,;12.34,-4.69,;12.33,-6.23,;11.01,-7,;9.67,-6.22,;9.66,-4.69,;11,-3.92,;8.34,-7,;8.34,-8.54,;9.68,-9.3,;9.68,-10.85,;8.34,-11.62,;7.01,-10.85,;5.55,-11.34,;4.64,-10.09,;5.54,-8.85,;5.05,-7.38,;7,-9.32,)| Show InChI InChI=1S/C15H23N5/c1-11-8-9-20-14(11)15(16-10-17-20)18-12-4-6-13(7-5-12)19(2)3/h8-10,12-13H,4-7H2,1-3H3,(H,16,17,18)/t12-,13-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	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

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