Compile Data Set for Download or QSAR

Found 1786 hits with Last Name = 'mathias' and Initial = 'jp'   

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
Pantetheinase (Homo sapiens (Human))	BDBM480924 (US10906888, Example 138) Show SMILES O=C(N1CC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-13-19(14-26)4-8-28-9-5-19)15-10-23-18(24-11-15)25-20(2-1-3-20)16-12-21-6-7-22-16/h6-7,10-12H,1-5,8-9,13-14H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM50585537 (CHEMBL5084938) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cnccn2)nc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480965 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrazin-2-yl)...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-13-21-6-7-22-16)25-18-23-11-15(12-24-18)17(27)26-8-3-20(14-26)4-9-28-10-5-20/h6-7,11-13H,3-5,8-10,14H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480929 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[2-(pyrimidin-5-y...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cncnc1 Show InChI InChI=1S/C20H26N6O2/c1-19(2,16-11-21-14-22-12-16)25-18-23-9-15(10-24-18)17(27)26-6-3-20(13-26)4-7-28-8-5-20/h9-12,14H,3-8,13H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239500 (CHEMBL4066705 | US10329302, Example 337 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403204 (US10329302, Example 360 | US10793579, Example 360 ...) Show SMILES CC[C@H]1[C@@H](COc2ncc(F)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-8-13(23-17(25)15(8)20)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(19)6-22-18/h4-6,8,13,15H,3,7H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403214 (US10329302, Example 370 | US10793579, Example 370 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CCF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19F2N3O4/c1-26-14-7-11-9(6-12(14)16(21)24)3-5-22-18(11)27-8-13-10(2-4-19)15(20)17(25)23-13/h3,5-7,10,13,15H,2,4,8H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239500 (CHEMBL4066705 | US10329302, Example 337 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403204 (US10329302, Example 360 | US10793579, Example 360 ...) Show SMILES CC[C@H]1[C@@H](COc2ncc(F)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-8-13(23-17(25)15(8)20)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(19)6-22-18/h4-6,8,13,15H,3,7H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239500 (CHEMBL4066705 | US10329302, Example 337 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM319575 (5-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-...) Show SMILES CC[C@H]1[C@@H](COc2cccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C19H21FN2O4/c1-3-11-14(22-19(24)17(11)20)9-26-15-6-4-5-10-7-13(18(21)23)16(25-2)8-12(10)15/h4-8,11,14,17H,3,9H2,1-2H3,(H2,21,23)(H,22,24)/t11-,14+,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				US Patent US10174000 (2019) BindingDB Entry DOI: 10.7270/Q27S7QWQ
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239500 (CHEMBL4066705 | US10329302, Example 337 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...				J Med Chem 60: 5521-5542 (2017) Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403204 (US10329302, Example 360 | US10793579, Example 360 ...) Show SMILES CC[C@H]1[C@@H](COc2ncc(F)c3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-8-13(23-17(25)15(8)20)7-27-18-10-5-14(26-2)11(16(21)24)4-9(10)12(19)6-22-18/h4-6,8,13,15H,3,7H2,1-2H3,(H2,21,24)(H,23,25)/t8-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403214 (US10329302, Example 370 | US10793579, Example 370 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CCF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19F2N3O4/c1-26-14-7-11-9(6-12(14)16(21)24)3-5-22-18(11)27-8-13-10(2-4-19)15(20)17(25)23-13/h3,5-7,10,13,15H,2,4,8H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403214 (US10329302, Example 370 | US10793579, Example 370 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3CCF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C18H19F2N3O4/c1-26-14-7-11-9(6-12(14)16(21)24)3-5-22-18(11)27-8-13-10(2-4-19)15(20)17(25)23-13/h3,5-7,10,13,15H,2,4,8H2,1H3,(H2,21,24)(H,23,25)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480917 (7-oxa-2-azaspiro[3.5]non-2-yl(2-{[2-(pyrazin-2-yl)...) Show SMILES CC(C)(Nc1ncc(cn1)C(=O)N1CC2(C1)CCOCC2)c1cnccn1 Show InChI InChI=1S/C19H24N6O2/c1-18(2,15-11-20-5-6-21-15)24-17-22-9-14(10-23-17)16(26)25-12-19(13-25)3-7-27-8-4-19/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480956 (US10906888, Example 173) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CCC2)c2cncnc2)nc1 Show InChI InChI=1S/C21H26N6O2/c28-18(27-7-4-20(14-27)5-8-29-9-6-20)16-10-24-19(25-11-16)26-21(2-1-3-21)17-12-22-15-23-13-17/h10-13,15H,1-9,14H2,(H,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403035 (US10329302, Example 183 | US10793579, Example 183 ...) Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H21F2N3O4/c1-9(2)28-15-7-12-11(6-13(15)16(22)25)4-5-23-17(12)27-8-14-10(3)19(20,21)18(26)24-14/h4-7,9-10,14H,8H2,1-3H3,(H2,22,25)(H,24,26)/t10-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403189 (US10329302, Example 345 | US10793579, Example 345 ...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-12-13(23-17(25)18(12,19)20)8-27-16-10-7-14(26-2)11(15(21)24)6-9(10)4-5-22-16/h4-7,12-13H,3,8H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403169 (US10329302, Example 323 | US10793579, Example 323 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-15-12(22-17(24)18(8,15)19)7-26-13-3-4-21-11-5-10(16(20)23)14(25-2)6-9(11)13/h3-6,8,12,15H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,15+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403189 (US10329302, Example 345 | US10793579, Example 345 ...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-12-13(23-17(25)18(12,19)20)8-27-16-10-7-14(26-2)11(15(21)24)6-9(10)4-5-22-16/h4-7,12-13H,3,8H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402999 (US10329302, Example 146 | US10793579, Example 146 ...) Show SMILES COc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H15F2N3O4/c1-24-12-5-10-8(4-11(12)13(19)22)2-3-20-14(10)25-7-9-6-16(17,18)15(23)21-9/h2-5,9H,6-7H2,1H3,(H2,19,22)(H,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402999 (US10329302, Example 146 | US10793579, Example 146 ...) Show SMILES COc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H15F2N3O4/c1-24-12-5-10-8(4-11(12)13(19)22)2-3-20-14(10)25-7-9-6-16(17,18)15(23)21-9/h2-5,9H,6-7H2,1H3,(H2,19,22)(H,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403035 (US10329302, Example 183 | US10793579, Example 183 ...) Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H21F2N3O4/c1-9(2)28-15-7-12-11(6-13(15)16(22)25)4-5-23-17(12)27-8-14-10(3)19(20,21)18(26)24-14/h4-7,9-10,14H,8H2,1-3H3,(H2,22,25)(H,24,26)/t10-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...				J Med Chem 60: 5521-5542 (2017) Article DOI: 10.1021/acs.jmedchem.7b00231 BindingDB Entry DOI: 10.7270/Q26D5W42
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402999 (US10329302, Example 146 | US10793579, Example 146 ...) Show SMILES COc1cc2c(OC[C@@H]3CC(F)(F)C(=O)N3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H15F2N3O4/c1-24-12-5-10-8(4-11(12)13(19)22)2-3-20-14(10)25-7-9-6-16(17,18)15(23)21-9/h2-5,9H,6-7H2,1H3,(H2,19,22)(H,21,23)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403035 (US10329302, Example 183 | US10793579, Example 183 ...) Show SMILES CC(C)Oc1cc2c(OC[C@H]3NC(=O)C(F)(F)[C@H]3C)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H21F2N3O4/c1-9(2)28-15-7-12-11(6-13(15)16(22)25)4-5-23-17(12)27-8-14-10(3)19(20,21)18(26)24-14/h4-7,9-10,14H,8H2,1-3H3,(H2,22,25)(H,24,26)/t10-,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403169 (US10329302, Example 323 | US10793579, Example 323 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-15-12(22-17(24)18(8,15)19)7-26-13-3-4-21-11-5-10(16(20)23)14(25-2)6-9(11)13/h3-6,8,12,15H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,15+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50239499 (CHEMBL4081711 | US10329302, Example 344 | US107935...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403189 (US10329302, Example 345 | US10793579, Example 345 ...) Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)C1(F)F |r| Show InChI InChI=1S/C18H19F2N3O4/c1-3-12-13(23-17(25)18(12,19)20)8-27-16-10-7-14(26-2)11(15(21)24)6-9(10)4-5-22-16/h4-7,12-13H,3,8H2,1-2H3,(H2,21,24)(H,23,25)/t12-,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This is an in vitro assay to measure IRAK4 enzymatic activity utilizing the DELFIA (Dissociation-Enhanced Lanthanide Fluorescent Immunoassay, Perkin-...				ACS Chem Biol 4: 834-43 (2009) BindingDB Entry DOI: 10.7270/Q2FT8PC5
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403169 (US10329302, Example 323 | US10793579, Example 323 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-8-15-12(22-17(24)18(8,15)19)7-26-13-3-4-21-11-5-10(16(20)23)14(25-2)6-9(11)13/h3-6,8,12,15H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,15+,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM480931 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[(1S)-1-(pyrazin-...) Show SMILES C[C@H](Nc1ncc(cn1)C(=O)N1CCC2(C1)CCOCC2)c1cnccn1 |r| Show InChI InChI=1S/C19H24N6O2/c1-14(16-12-20-5-6-21-16)24-18-22-10-15(11-23-18)17(26)25-7-2-19(13-25)3-8-27-9-4-19/h5-6,10-12,14H,2-4,7-9,13H2,1H3,(H,22,23,24)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantetheinase (Homo sapiens (Human))	BDBM480971 (8-oxa-2-azaspiro[4.5]dec-2-yl(2-{[1-(pyrimidin-5-y...) Show SMILES O=C(N1CCC2(C1)CCOCC2)c1cnc(NC2(CC2)c2cncnc2)nc1 Show InChI InChI=1S/C20H24N6O2/c27-17(26-6-3-19(13-26)4-7-28-8-5-19)15-9-23-18(24-10-15)25-20(1-2-20)16-11-21-14-22-12-16/h9-12,14H,1-8,13H2,(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant N-terminal FLAG/His6-tagged human vanin-1 expressed in CHO cells using Pantetheine-7-amino-4-trifluoromethykournarin as sub...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01849 BindingDB Entry DOI: 10.7270/Q2XD15K6
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403177 (US10329302, Example 333 | US10793579, Example 333 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-25-14-5-8-11(4-9(14)17(20)23)21-3-2-13(8)26-7-12-15-10(6-19)16(15)18(24)22-12/h2-5,10,12,15-16H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,12+,15+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403080 (US10329302, Example 233 | US10793579, Example 233 ...) Show SMILES COc1cc2c(OC[C@@H]3COC(=O)N3)cccc2cc1C(N)=O |r| Show InChI InChI=1S/C16H16N2O5/c1-21-14-6-11-9(5-12(14)15(17)19)3-2-4-13(11)22-7-10-8-23-16(20)18-10/h2-6,10H,7-8H2,1H3,(H2,17,19)(H,18,20)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403185 (US10329302, Example 341 | US10793579, Example 341 ...) Show SMILES CC[C@H]1[C@@H](COc2ncnc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F |r| Show InChI InChI=1S/C17H19FN4O4/c1-3-8-12(22-16(24)14(8)18)6-26-17-9-5-13(25-2)10(15(19)23)4-11(9)20-7-21-17/h4-5,7-8,12,14H,3,6H2,1-2H3,(H2,19,23)(H,22,24)/t8-,12+,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403212 (US10329302, Example 368 | US10793579, Example 368 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C3CC3)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C19H20FN3O4/c1-26-14-7-11-10(6-12(14)17(21)24)4-5-22-19(11)27-8-13-15(9-2-3-9)16(20)18(25)23-13/h4-7,9,13,15-16H,2-3,8H2,1H3,(H2,21,24)(H,23,25)/t13-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403219 (US10329302, Example 375 | US10793579, Example 375 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3CF)nccc2cc1C(N)=O |r| Show InChI InChI=1S/C17H17F2N3O4/c1-25-13-5-9-8(4-10(13)15(20)23)2-3-21-17(9)26-7-12-11(6-18)14(19)16(24)22-12/h2-5,11-12,14H,6-7H2,1H3,(H2,20,23)(H,22,24)/t11-,12+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q27D308N
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM403177 (US10329302, Example 333 | US10793579, Example 333 ...) Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](CF)[C@H]34)ccnc2cc1C(N)=O |r| Show InChI InChI=1S/C18H18FN3O4/c1-25-14-5-8-11(4-9(14)17(20)23)21-3-2-13(8)26-7-12-15-10(6-19)16(15)18(24)22-12/h2-5,10,12,15-16H,6-7H2,1H3,(H2,20,23)(H,22,24)/t10-,12+,15+,16+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Protocol B: To begin the assay, 45 μL of reaction mixture containing 20 mM HEPES pH=7.5, 5 mM MgCl2, 0.0025% Brij-35, 600 μM ATP, 228 μ...				US Patent US10793579 (2020) BindingDB Entry DOI: 10.7270/Q2H9988P
					More data for this Ligand-Target Pair

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