Compile Data Set for Download or QSAR

Found 816 hits with Last Name = 'halsall' and Initial = 'ct'   

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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183849 ((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C(C)C)[C@@H](C)C(N)=O Show InChI InChI=1S/C22H25ClFN5O2/c1-12(2)29(13(3)21(25)30)10-14-8-15-18(9-19(14)31-4)26-11-27-22(15)28-17-7-5-6-16(23)20(17)24/h5-9,11-13H,10H2,1-4H3,(H2,25,30)(H,26,27,28)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505750 (CHEMBL4539647) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(cc12)C#N |r,wU:12.16,wD:9.9,(39.73,-20.55,;38.4,-19.77,;38.42,-18.23,;37.07,-20.53,;37.05,-22.07,;35.71,-22.83,;34.39,-22.05,;34.39,-20.5,;35.73,-19.74,;33.04,-22.8,;31.71,-22.03,;30.36,-22.79,;30.37,-24.33,;31.7,-25.11,;33.03,-24.34,;29.03,-25.1,;29.02,-26.64,;30.36,-27.42,;30.36,-28.96,;31.69,-29.73,;33.02,-28.96,;33.18,-27.43,;34.68,-27.11,;35.45,-28.45,;36.98,-28.44,;34.42,-29.59,;29.02,-29.73,;27.69,-28.96,;26.37,-29.74,;25.03,-28.99,;25.01,-27.44,;26.34,-26.66,;27.68,-27.42,;23.67,-26.7,;22.33,-25.94,)| Show InChI InChI=1S/C25H31N9O/c1-17(35)33-9-11-34(12-10-33)21-6-4-19(5-7-21)28-24-22-13-18(14-26)3-8-23(22)30-25(31-24)29-20-15-27-32(2)16-20/h3,8,13,15-16,19,21H,4-7,9-12H2,1-2H3,(H2,28,29,30,31)/t19-,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	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505749 (CHEMBL4439748) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(cc12)C#N |r,wU:13.17,wD:10.10,(59.5,-20.65,;59.52,-19.11,;58.19,-18.33,;58.21,-16.8,;56.86,-19.09,;56.84,-20.63,;55.5,-21.39,;54.18,-20.61,;54.18,-19.07,;55.52,-18.3,;52.83,-21.36,;51.5,-20.59,;50.15,-21.35,;50.16,-22.89,;51.49,-23.67,;52.82,-22.9,;48.82,-23.66,;48.82,-25.2,;50.15,-25.98,;50.15,-27.52,;51.48,-28.29,;52.81,-27.52,;52.97,-25.99,;54.47,-25.67,;55.24,-27,;56.77,-27,;54.21,-28.15,;48.82,-28.29,;47.49,-27.52,;46.16,-28.3,;44.82,-27.55,;44.8,-26,;46.13,-25.22,;47.47,-25.98,;43.46,-25.26,;42.13,-24.5,)| Show InChI InChI=1S/C25H31N9O2/c1-32-16-19(15-27-32)29-24-30-22-8-3-17(14-26)13-21(22)23(31-24)28-18-4-6-20(7-5-18)33-9-11-34(12-10-33)25(35)36-2/h3,8,13,15-16,18,20H,4-7,9-12H2,1-2H3,(H2,28,29,30,31)/t18-,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	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246762 (CHEMBL4078222) Show SMILES [H][C@]12CC(=O)N(C)[C@@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,wD:13.14,1.0,7.8,(12.7,-12.69,;14.04,-13.46,;14.36,-11.96,;15.89,-11.8,;16.66,-10.47,;16.52,-13.21,;18.02,-13.53,;15.37,-14.23,;16.7,-15,;15.36,-15.78,;14.03,-16.54,;12.7,-15.76,;12.7,-14.22,;11.37,-16.53,;10.03,-15.76,;8.7,-16.52,;8.7,-18.06,;10.03,-18.83,;11.36,-18.07,;7.37,-18.84,;7.37,-20.37,;8.71,-21.14,;8.71,-22.69,;7.38,-23.46,;6.04,-22.69,;4.57,-23.17,;3.66,-21.93,;4.56,-20.67,;4.07,-19.21,;5.09,-18.06,;4.61,-16.6,;3.11,-16.29,;2.08,-17.44,;2.56,-18.9,;6.04,-21.14,)| Show InChI InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1	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	2	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246761 (CHEMBL4102501) Show SMILES [H][C@@]12CC(=O)N(C)[C@]1([H])CCN(C2)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:16.21,1.0,7.8,wD:13.14,(14.1,-14.84,;15.43,-15.62,;15.76,-14.11,;17.29,-13.95,;18.06,-12.62,;17.91,-15.36,;19.41,-15.68,;16.76,-16.39,;18.09,-17.15,;16.75,-17.93,;15.42,-18.69,;14.1,-17.92,;14.09,-16.38,;12.76,-18.68,;11.43,-17.91,;10.09,-18.68,;10.1,-20.22,;11.43,-20.99,;12.75,-20.22,;8.76,-20.99,;8.77,-22.53,;10.1,-23.29,;10.11,-24.84,;8.77,-25.61,;7.44,-24.84,;5.97,-25.33,;5.05,-24.09,;5.95,-22.83,;5.47,-21.37,;6.48,-20.21,;6,-18.76,;4.5,-18.44,;3.47,-19.59,;3.95,-21.06,;7.43,-23.3,)| Show InChI InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1	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	2	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246779 (CHEMBL4080574) Show SMILES CC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:12.16,wD:9.9,(19.88,-14.05,;18.55,-13.27,;18.56,-11.73,;17.21,-14.03,;17.2,-15.57,;15.87,-16.33,;14.54,-15.55,;14.54,-14.01,;15.88,-13.25,;13.21,-16.32,;11.88,-15.54,;10.54,-16.31,;10.55,-17.85,;11.88,-18.62,;13.2,-17.85,;9.22,-18.62,;9.22,-20.16,;10.55,-20.92,;10.56,-22.47,;9.22,-23.24,;7.89,-22.47,;6.42,-22.96,;5.51,-21.72,;6.41,-20.46,;5.92,-19,;6.94,-17.84,;6.46,-16.39,;4.95,-16.07,;3.93,-17.22,;4.41,-18.69,;7.88,-20.93,)| Show InChI InChI=1S/C23H34N6O2/c1-16(30)28-8-10-29(11-9-28)19-4-2-18(3-5-19)27-23-21-20(17-6-12-31-13-7-17)14-24-22(21)25-15-26-23/h14-15,17-19H,2-13H2,1H3,(H2,24,25,26,27)/t18-,19-	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	2	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))	BDBM50505745 (CHEMBL4452521) Show SMILES Cn1cc(Nc2nc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c3cc(ccc3n2)C#N)cn1 |r,wU:9.8,wD:12.15,(18.84,-28.34,;17.31,-28.34,;16.28,-29.49,;14.88,-28.86,;13.55,-29.63,;12.22,-28.86,;12.22,-27.32,;10.89,-26.54,;10.89,-25,;12.23,-24.23,;12.22,-22.69,;13.57,-21.93,;14.91,-22.7,;14.9,-24.25,;13.56,-25.01,;16.25,-21.95,;17.58,-22.73,;18.91,-21.97,;18.93,-20.43,;17.6,-19.64,;16.25,-20.41,;9.55,-27.32,;8.21,-26.56,;6.88,-27.34,;6.9,-28.89,;8.24,-29.64,;9.56,-28.86,;10.89,-29.63,;5.54,-26.6,;4.2,-25.84,;15.04,-27.33,;16.54,-27.01,)| Show InChI InChI=1S/C23H28N8O/c1-30-15-18(14-25-30)27-23-28-21-7-2-16(13-24)12-20(21)22(29-23)26-17-3-5-19(6-4-17)31-8-10-32-11-9-31/h2,7,12,14-15,17,19H,3-6,8-11H2,1H3,(H2,26,27,28,29)/t17-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246810 (CHEMBL4078625) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCC3)c12 |r,wU:6.9,wD:3.2,(14.47,-18.02,;13.14,-17.24,;13.15,-15.7,;11.81,-18.01,;10.48,-17.24,;9.14,-18,;9.15,-19.55,;10.47,-20.31,;11.8,-19.55,;7.81,-20.32,;7.81,-21.86,;9.15,-22.62,;9.15,-24.17,;7.82,-24.94,;6.49,-24.17,;5.02,-24.65,;4.1,-23.41,;5,-22.15,;4.52,-20.69,;5.2,-19.31,;3.82,-18.63,;3.13,-20,;6.48,-22.62,)| Show InChI InChI=1S/C18H27N5/c1-23(2)14-8-6-13(7-9-14)22-18-16-15(12-4-3-5-12)10-19-17(16)20-11-21-18/h10-14H,3-9H2,1-2H3,(H2,19,20,21,22)/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	3	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))	BDBM50246809 (CHEMBL4104802) Show SMILES CN(C)C(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:14.18,wD:11.11,(20.28,-15.59,;20.29,-14.05,;21.63,-13.29,;18.96,-13.27,;18.97,-11.73,;17.62,-14.03,;17.61,-15.57,;16.28,-16.33,;14.96,-15.55,;14.95,-14.01,;16.3,-13.25,;13.62,-16.32,;12.29,-15.54,;10.95,-16.31,;10.96,-17.85,;12.29,-18.62,;13.62,-17.86,;9.63,-18.62,;9.63,-20.16,;10.96,-20.92,;10.97,-22.47,;9.63,-23.24,;8.3,-22.47,;6.83,-22.96,;5.92,-21.72,;6.82,-20.46,;6.33,-19,;7.35,-17.85,;6.87,-16.39,;5.36,-16.07,;4.34,-17.22,;4.82,-18.69,;8.29,-20.93,)| Show InChI InChI=1S/C24H37N7O2/c1-29(2)24(32)31-11-9-30(10-12-31)19-5-3-18(4-6-19)28-23-21-20(17-7-13-33-14-8-17)15-25-22(21)26-16-27-23/h15-19H,3-14H2,1-2H3,(H2,25,26,27,28)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	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))	BDBM50246777 (CHEMBL4067181) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCOCC3)c12 |r,wU:13.17,wD:10.10,(21.79,-16.28,;21.8,-14.75,;20.47,-13.96,;20.48,-12.42,;19.14,-14.73,;19.13,-16.27,;17.79,-17.02,;16.47,-16.25,;16.47,-14.71,;17.81,-13.95,;15.14,-17.01,;13.8,-16.24,;12.46,-17.01,;12.47,-18.55,;13.8,-19.32,;15.13,-18.55,;11.14,-19.32,;11.14,-20.86,;12.48,-21.62,;12.48,-23.17,;11.15,-23.94,;9.81,-23.17,;8.35,-23.65,;7.43,-22.41,;8.33,-21.15,;7.85,-19.7,;8.87,-18.54,;8.38,-17.09,;6.88,-16.77,;5.85,-17.92,;6.33,-19.39,;9.81,-21.62,)| Show InChI InChI=1S/C23H34N6O3/c1-31-23(30)29-10-8-28(9-11-29)18-4-2-17(3-5-18)27-22-20-19(16-6-12-32-13-7-16)14-24-21(20)25-15-26-22/h14-18H,2-13H2,1H3,(H2,24,25,26,27)/t17-,18-	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	3	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
Serine/threonine-protein kinase haspin (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	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 N-terminal His6-tagged human haspin (471 end residues) expressed in baculovirus infected Sf21 insect cells				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))	BDBM50246764 (CHEMBL4087063) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(S[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(11.36,-19.45,;11.84,-20.9,;10.82,-22.06,;9.31,-21.75,;8.83,-20.28,;9.85,-19.13,;11.31,-23.52,;10.41,-24.78,;11.32,-26.02,;12.79,-25.53,;14.12,-26.3,;15.46,-25.53,;15.45,-23.98,;14.12,-23.22,;14.12,-21.68,;15.45,-20.91,;15.44,-19.37,;16.78,-18.6,;18.11,-19.38,;18.1,-20.91,;16.78,-21.68,;19.45,-18.61,;20.77,-19.39,;22.1,-18.63,;22.11,-17.08,;20.78,-16.31,;19.44,-17.07,;12.78,-23.99,)| Show InChI InChI=1S/C21H30N4O2S/c1-3-17(4-2-16(1)25-7-11-27-12-8-25)28-21-19-18(15-5-9-26-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H,22,23,24)/t16-,17-	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	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))	BDBM50505743 (CHEMBL4582624) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(CC#N)nc12 |r,wU:13.17,wD:10.10,(21.97,-21.58,;21.98,-20.04,;20.66,-19.26,;20.68,-17.72,;19.32,-20.02,;19.31,-21.56,;17.97,-22.32,;16.64,-21.54,;16.65,-19.99,;17.99,-19.23,;15.3,-22.29,;13.96,-21.52,;12.62,-22.28,;12.62,-23.82,;13.95,-24.6,;15.29,-23.83,;11.28,-24.59,;11.28,-26.13,;12.62,-26.91,;12.62,-28.45,;13.95,-29.22,;15.28,-28.46,;15.43,-26.92,;16.94,-26.61,;17.7,-27.94,;19.24,-27.93,;16.67,-29.08,;11.28,-29.22,;9.95,-28.45,;8.63,-29.24,;7.29,-28.48,;7.27,-26.93,;5.93,-26.19,;5.91,-24.65,;5.88,-23.11,;8.6,-26.15,;9.94,-26.91,)| Show InChI InChI=1S/C25H32N10O2/c1-33-16-19(15-27-33)30-24-31-21-8-5-18(9-10-26)28-22(21)23(32-24)29-17-3-6-20(7-4-17)34-11-13-35(14-12-34)25(36)37-2/h5,8,15-17,20H,3-4,6-7,9,11-14H2,1-2H3,(H2,29,30,31,32)/t17-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB 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				3D Structure (crystal)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184464 (CHEMBL3822644) Show SMILES C[C@@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r| Show InChI InChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					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
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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 N-terminal GST-tagged human CLK2 (138 end residues) expressed in baculovirus infected Sf21 cells				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))	BDBM50505747 (CHEMBL4556866) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(nc12)C#N |r,wU:13.17,wD:10.10,(50.96,-6.48,;50.97,-4.94,;49.65,-4.16,;49.66,-2.62,;48.31,-4.91,;48.29,-6.46,;46.96,-7.21,;45.63,-6.44,;45.63,-4.89,;46.98,-4.13,;44.29,-7.19,;42.95,-6.41,;41.6,-7.18,;41.61,-8.71,;42.94,-9.5,;44.28,-8.73,;40.27,-9.49,;40.27,-11.03,;41.6,-11.81,;41.6,-13.35,;42.93,-14.12,;44.26,-13.35,;44.42,-11.82,;45.92,-11.5,;46.69,-12.83,;48.22,-12.83,;45.66,-13.97,;40.27,-14.12,;38.94,-13.35,;37.62,-14.13,;36.28,-13.38,;36.26,-11.83,;37.59,-11.05,;38.93,-11.81,;34.92,-11.08,;33.58,-10.35,)| Show InChI InChI=1S/C24H30N10O2/c1-32-15-18(14-26-32)29-23-30-20-8-5-17(13-25)27-21(20)22(31-23)28-16-3-6-19(7-4-16)33-9-11-34(12-10-33)24(35)36-2/h5,8,14-16,19H,3-4,6-7,9-12H2,1-2H3,(H2,28,29,30,31)/t16-,19-	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 IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					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))	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...				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))	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))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB 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 N-terminal His6-tagged human IRAK4 expressed in baculovirus infected Sf21 insect cells				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				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183837 ((R)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					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	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				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50246789 (CHEMBL4097418) Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCC3)c12 |r,wU:6.9,wD:3.2,(17.96,-17.39,;16.63,-16.62,;16.63,-15.08,;15.29,-17.38,;13.96,-16.61,;12.62,-17.38,;12.63,-18.92,;13.96,-19.69,;15.29,-18.92,;11.3,-19.69,;11.3,-21.23,;12.63,-21.99,;12.64,-23.54,;11.3,-24.31,;9.97,-23.54,;8.5,-24.03,;7.59,-22.79,;8.49,-21.53,;8,-20.07,;8.9,-18.81,;7.99,-17.57,;6.52,-18.05,;6.54,-19.59,;9.96,-22,)| Show InChI InChI=1S/C19H29N5/c1-24(2)15-9-7-14(8-10-15)23-19-17-16(13-5-3-4-6-13)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 UniChem	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...				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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183856 (3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...) Show SMILES COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O Show InChI InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183856 (3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...) Show SMILES COCCN1CC(C1)(N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC)C(N)=O Show InChI InChI=1S/C24H28ClFN6O3/c1-31(24(23(27)33)12-32(13-24)7-8-34-2)11-15-9-16-19(10-20(15)35-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H2,27,33)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50505751 (CHEMBL4548760) Show SMILES COC(=O)N1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cnn(C)c2)nc2ccc(nc12)C(C)C#N |r,wU:13.17,wD:10.10,(44.3,-21.75,;44.32,-20.21,;42.99,-19.43,;43.01,-17.89,;41.66,-20.18,;41.64,-21.73,;40.3,-22.48,;38.98,-21.7,;38.98,-20.16,;40.32,-19.4,;37.63,-22.46,;36.3,-21.68,;34.95,-22.45,;34.95,-23.98,;36.29,-24.77,;37.62,-24,;33.62,-24.76,;33.61,-26.3,;34.95,-27.08,;34.95,-28.62,;36.28,-29.39,;37.61,-28.62,;37.77,-27.09,;39.27,-26.77,;40.04,-28.1,;41.57,-28.1,;39.01,-29.25,;33.61,-29.39,;32.28,-28.62,;30.96,-29.41,;29.62,-28.65,;29.6,-27.1,;30.93,-26.32,;32.27,-27.08,;28.26,-26.36,;28.24,-24.82,;26.94,-27.14,;25.63,-27.93,)| Show InChI InChI=1S/C26H34N10O2/c1-17(14-27)21-8-9-22-23(31-21)24(33-25(32-22)30-19-15-28-34(2)16-19)29-18-4-6-20(7-5-18)35-10-12-36(13-11-35)26(37)38-3/h8-9,15-18,20H,4-7,10-13H2,1-3H3,(H2,29,30,32,33)/t17?,18-,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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of IRAK4 (unknown origin) in presence of 5 mM ATP by enzymatic assay				J Med Chem 62: 9918-9930 (2019) Article DOI: 10.1021/acs.jmedchem.9b01346 BindingDB Entry DOI: 10.7270/Q26W9FBQ
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183837 ((R)-1-((4-(3-chloro-4-fluorophenylamino)-7-methoxy...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1CN1CCC[C@@H]1C(N)=O Show InChI InChI=1S/C21H21ClFN5O2/c1-30-19-9-17-14(7-12(19)10-28-6-2-3-18(28)20(24)29)21(26-11-25-17)27-13-4-5-16(23)15(22)8-13/h4-5,7-9,11,18H,2-3,6,10H2,1H3,(H2,24,29)(H,25,26,27)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184465 (CHEMBL3822976) Show SMILES CNCC(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C24H28ClN9O/c1-15-22(16(2)34(31-15)17-7-10-32(11-8-17)21(35)14-26-3)29-24-27-13-19(25)23(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-13,17,26H,7-8,10-11,14H2,1-3H3,(H,27,29,30)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184462 (CHEMBL3823154) Show SMILES Cc1nn(C2CCN(CC2)C(=O)CN)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H26ClN9O/c1-14-21(15(2)33(30-14)16-6-9-31(10-7-16)20(34)11-25)28-23-26-13-18(24)22(29-23)17-12-27-32-8-4-3-5-19(17)32/h3-5,8,12-13,16H,6-7,9-11,25H2,1-2H3,(H,26,28,29)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184475 (CHEMBL3822989) Show SMILES CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c(C)n1 Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-31(28-14)16-6-9-29(10-7-16)15(2)32)26-22-24-12-18(23)21(27-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,26,27)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					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	6.20	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)
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184476 (CHEMBL3823301) Show SMILES CC(=O)N1CCC(CC1)n1ncc(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C22H23ClN8O/c1-14-19(13-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-24-12-18(23)21(28-22)17-11-25-30-8-4-3-5-20(17)30/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,24,27,28)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183864 ((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O Show InChI InChI=1S/C22H23ClFN5O2/c1-31-19-10-17-14(9-13(19)11-29-8-3-2-7-18(29)21(25)30)22(27-12-26-17)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,25,30)(H,26,27,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183862 ((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O Show InChI InChI=1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(15)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184463 (CHEMBL3824103) Show SMILES C[C@H](N)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r| Show InChI InChI=1S/C24H28ClN9O/c1-14(26)23(35)32-10-7-17(8-11-32)34-16(3)21(15(2)31-34)29-24-27-13-19(25)22(30-24)18-12-28-33-9-5-4-6-20(18)33/h4-6,9,12-14,17H,7-8,10-11,26H2,1-3H3,(H,27,29,30)/t14-/m0/s1	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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50246769 (CHEMBL4064608) Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB 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 N-terminal GST-tagged human CLK4 (128 end residues) expressed in baculovirus infected Sf21 insect cells				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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183862 ((S)-2-(((4-(3-chloro-2-fluorophenylamino)-7-methox...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H](C)C(N)=O Show InChI InChI=1S/C20H21ClFN5O2/c1-11(19(23)28)27(2)9-12-7-13-16(8-17(12)29-3)24-10-25-20(13)26-15-6-4-5-14(21)18(15)22/h4-8,10-11H,9H2,1-3H3,(H2,23,28)(H,24,25,26)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183864 ((R)-1-((4-(3-chloro-2-fluorophenylamino)-7-methoxy...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O Show InChI InChI=1S/C22H23ClFN5O2/c1-31-19-10-17-14(9-13(19)11-29-8-3-2-7-18(29)21(25)30)22(27-12-26-17)28-16-6-4-5-15(23)20(16)24/h4-6,9-10,12,18H,2-3,7-8,11H2,1H3,(H2,25,30)(H,26,27,28)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183858 (4-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CCN(C)CC1)C(N)=O Show InChI InChI=1S/C24H28ClFN6O2/c1-31-9-7-24(8-10-31,23(27)33)32(2)13-15-11-16-19(12-20(15)34-3)28-14-29-22(16)30-18-6-4-5-17(25)21(18)26/h4-6,11-12,14H,7-10,13H2,1-3H3,(H2,27,33)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184455 (CHEMBL3824323) Show SMILES Cc1nn(C2CCN(CCO)CC2)c(C)c1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12 Show InChI InChI=1S/C23H27ClN8O/c1-15-21(16(2)32(29-15)17-6-9-30(10-7-17)11-12-33)27-23-25-14-19(24)22(28-23)18-13-26-31-8-4-3-5-20(18)31/h3-5,8,13-14,17,33H,6-7,9-12H2,1-2H3,(H,25,27,28)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Insulin-like growth factor 1 receptor (Homo sapiens (Human))	BDBM50184457 (CHEMBL3823095) Show SMILES CN(C)C(=O)CN1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C Show InChI InChI=1S/C25H30ClN9O/c1-16-23(17(2)35(31-16)18-8-11-33(12-9-18)15-22(36)32(3)4)29-25-27-14-20(26)24(30-25)19-13-28-34-10-6-5-7-21(19)34/h5-7,10,13-14,18H,8-9,11-12,15H2,1-4H3,(H,27,29,30)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human IGF-1R using fluorescent labeled FL-KKSRGDYMTMQIG-CONH2 as substrate after 1 hr 50 mins				J Med Chem 59: 4859-66 (2016) Article DOI: 10.1021/acs.jmedchem.6b00203 BindingDB Entry DOI: 10.7270/Q2KS6TG9
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50183840 (3-(((4-(3-chloro-2-fluorophenylamino)-7-methoxyqui...) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(CN(C1)C(C)C)C(N)=O Show InChI InChI=1S/C24H28ClFN6O2/c1-14(2)32-11-24(12-32,23(27)33)31(3)10-15-8-16-19(9-20(15)34-4)28-13-29-22(16)30-18-7-5-6-17(25)21(18)26/h5-9,13-14H,10-12H2,1-4H3,(H2,27,33)(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of EGFR in presence of 2 uM ATP				Bioorg Med Chem Lett 16: 2672-6 (2006) Article DOI: 10.1016/j.bmcl.2006.02.025 BindingDB Entry DOI: 10.7270/Q25H7FVK
					More data for this Ligand-Target Pair

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