Compile Data Set for Download or QSAR

Found 1664 hits with Last Name = 'gibeau' and Initial = 'cr'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130661 (CHEMBL3634510 | US10329294, Example 162) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H22F2N8O/c1-27-10-13(15(26-27)16(19)20)24-18(29)12-9-22-28-7-5-14(25-17(12)28)23-11-4-2-3-6-21-8-11/h5,7,9-11,16,21H,2-4,6,8H2,1H3,(H,23,25)(H,24,29)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278845 (2[(3R)-3- aminopiperidin-1-yl] N-[3-(difluoromethy...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F2N7OS.C2HF3O2/c1-25-7-11(14(24-25)15(18)19)22-16(27)10-8-28-17-13(10)23-12(5-21-17)26-4-2-3-9(20)6-26;3-2(4,5)1(6)7/h5,7-9,15H,2-4,6,20H2,1H3,(H,22,27);(H,6,7)/t9-;/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	0.200	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278744 (2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@@H]4CCCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C19H23F2N7O.C2HF3O2/c1-27-11-14(17(26-27)18(20)21)24-19(29)15-7-5-13-6-8-16(25-28(13)15)23-12-4-2-3-9-22-10-12;3-2(4,5)1(6)7/h5-8,11-12,18,22H,2-4,9-10H2,1H3,(H,23,25)(H,24,29);(H,6,7)/t12-;/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	0.200	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040798 (2018) BindingDB Entry DOI: 10.7270/Q2F191Q7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278854 (2-[(3S)- or (3R)- azepan-3-ylamino]-N- [3-(difluor...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7OS.C2HF3O2/c1-27-8-12(15(26-27)16(19)20)24-17(28)11-9-29-18-14(11)25-13(7-22-18)23-10-4-2-3-5-21-6-10;3-2(4,5)1(6)7/h7-10,16,21H,2-6H2,1H3,(H,23,25)(H,24,28);(H,6,7)/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	0.200	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278846 (2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[3-(diflu...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7OS.C2HF3O2/c1-27-7-12(15(26-27)16(19)20)24-17(28)9-8-29-18-14(9)25-13(6-22-18)23-11-5-3-2-4-10(11)21;3-2(4,5)1(6)7/h6-8,10-11,16H,2-5,21H2,1H3,(H,23,25)(H,24,28);(H,6,7)/t10-,11+;/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	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402564 (5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-bromo-...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Br)n1 |r| Show InChI InChI=1S/C17H21BrN8O/c1-25-9-13(15(18)24-25)22-17(27)10-8-20-26-7-6-14(23-16(10)26)21-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H,21,23)(H,22,27)/t11-,12+/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
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278745 (2-[(3R)- or (3S)-azepan- 3-ylamino]-N-[3- (difluor...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(N[C@H]4CCCCNC4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C19H23F2N7O.C2HF3O2/c1-27-11-14(17(26-27)18(20)21)24-19(29)15-7-5-13-6-8-16(25-28(13)15)23-12-4-2-3-9-22-10-12;3-2(4,5)1(6)7/h5-8,11-12,18,22H,2-4,9-10H2,1H3,(H,23,25)(H,24,29);(H,6,7)/t12-;/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	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040798 (2018) BindingDB Entry DOI: 10.7270/Q2F191Q7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278856 (2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-chloro...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r| Show InChI InChI=1S/C17H20ClN7OS.C2HF3O2/c1-25-7-12(15(18)24-25)22-16(26)9-8-27-17-14(9)23-13(6-20-17)21-11-5-3-2-4-10(11)19;3-2(4,5)1(6)7/h6-8,10-11H,2-5,19H2,1H3,(H,21,23)(H,22,26);(H,6,7)/t10-,11+;/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	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130660 (CHEMBL3634509 | US10040802, Example 32) Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F2N7OS/c1-26-7-11(14(25-26)15(18)19)23-16(27)10-8-28-17-13(10)24-12(6-21-17)22-9-3-2-4-20-5-9/h6-9,15,20H,2-5H2,1H3,(H,22,24)(H,23,27)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402709 (5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[1- cyclo...) Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cn(nc3C(F)(F)F)C3CC3)c2n1 |r| Show InChI InChI=1S/C20H23F3N8O/c21-20(22,23)17-15(10-31(29-17)11-5-6-11)27-19(32)12-9-25-30-8-7-16(28-18(12)30)26-14-4-2-1-3-13(14)24/h7-11,13-14H,1-6,24H2,(H,26,28)(H,27,32)/t13-,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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50095470 (CHEMBL3590474 | US10155765, Example 9) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(N)=O |r| Show InChI InChI=1S/C21H25N3O/c1-23(2)14-9-15-25-21-16-20(19-12-7-4-8-13-19)24(22-21)17-18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10155765 (2018) BindingDB Entry DOI: 10.7270/Q21V5H2J
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278858 (2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(3-cyano-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C#N |r| Show InChI InChI=1S/C18H20N8OS.C2HF3O2/c1-26-8-14(13(6-19)25-26)23-17(27)10-9-28-18-16(10)24-15(7-21-18)22-12-5-3-2-4-11(12)20;3-2(4,5)1(6)7/h7-9,11-12H,2-5,20H2,1H3,(H,22,24)(H,23,27);(H,6,7)/t11-,12+;/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	0.400	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402516 (5-[(3R)-3-aminopiperidin- 1-yl]-N-[3- (difluoromet...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H20F2N8O/c1-25-9-12(14(24-25)15(18)19)22-17(28)11-7-21-27-6-4-13(23-16(11)27)26-5-2-3-10(20)8-26/h4,6-7,9-10,15H,2-3,5,8,20H2,1H3,(H,22,28)/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402452 (N-[3-(difluoromethyl)-1- methyl-1H-pyrazol-4-yl]- ...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@H](O)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F2N7O2/c1-24-9-12(14(23-24)15(18)19)21-17(28)11-7-20-26-6-4-13(22-16(11)26)25-5-2-3-10(27)8-25/h4,6-7,9-10,15,27H,2-3,5,8H2,1H3,(H,21,28)/t10-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402545 (5-{[(1R,2S)-2- aminocyclohexyl]amino}- N-[4- (difl...) Show SMILES N[C@H]1CCCC[C@H]1Nc1ccn2ncc(C(=O)Nc3cscc3C(F)F)c2n1 |r| Show InChI InChI=1S/C18H20F2N6OS/c19-16(20)11-8-28-9-14(11)24-18(27)10-7-22-26-6-5-15(25-17(10)26)23-13-4-2-1-3-12(13)21/h5-9,12-13,16H,1-4,21H2,(H,23,25)(H,24,27)/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130664 (CHEMBL3634512 | US10329294, Example 149) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Cl)n1 |r| Show InChI InChI=1S/C17H21ClN8O/c1-25-9-13(15(18)24-25)22-17(27)10-8-20-26-7-6-14(23-16(10)26)21-12-5-3-2-4-11(12)19/h6-9,11-12H,2-5,19H2,1H3,(H,21,23)(H,22,27)/t11-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402586 (5-[(3S)- or (3R)-azepan-3- ylamino]-N-[1-methyl-3-...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H21F3N8O/c1-28-10-13(15(27-28)18(19,20)21)25-17(30)12-9-23-29-7-5-14(26-16(12)29)24-11-4-2-3-6-22-8-11/h5,7,9-11,22H,2-4,6,8H2,1H3,(H,24,26)(H,25,30)/t11-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402605 (5-[(3S,4R)- or (3R,4S)-3- amino-4-fluoropiperidin-...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CC[C@H](F)[C@H](N)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)9-6-22-28-5-3-13(24-16(9)28)27-4-2-10(18)11(21)7-27/h3,5-6,8,10-11,15H,2,4,7,21H2,1H3,(H,23,29)/t10-,11+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402606 (5-[(4R)- or (4S)-(5-amino- 3,3-difluoropiperidin-1...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@@H](N)CC(F)(F)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H18F4N8O/c1-27-7-11(13(26-27)14(18)19)24-16(30)10-5-23-29-3-2-12(25-15(10)29)28-6-9(22)4-17(20,21)8-28/h2-3,5,7,9,14H,4,6,8,22H2,1H3,(H,24,30)/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402630 (5-{[(1S,2R)- or (1R,2S)-2- amino-5,5- difluorocycl...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CC(F)(F)CC[C@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H19F5N8O/c1-30-8-12(14(29-30)18(21,22)23)27-16(32)9-7-25-31-5-3-13(28-15(9)31)26-11-6-17(19,20)4-2-10(11)24/h3,5,7-8,10-11H,2,4,6,24H2,1H3,(H,26,28)(H,27,32)/t10-,11+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402654 (5-(3,8- diazabicyclo[3.2.1]oct- 8-yl)-N-[3- (diflu...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C3CCC2CNC3)c(n1)C(F)F Show InChI InChI=1S/C18H20F2N8O/c1-26-9-13(15(25-26)16(19)20)23-18(29)12-8-22-27-5-4-14(24-17(12)27)28-10-2-3-11(28)7-21-6-10/h4-5,8-11,16,21H,2-3,6-7H2,1H3,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402655 (5-{[(3R,4S)- or (3S,4R)-4- fluoropiperidin-3- yl]a...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CNCC[C@@H]4F)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)9-6-23-29-5-3-13(26-15(9)29)24-11-7-22-4-2-10(11)18/h3,5-6,8,10-11,22H,2,4,7H2,1H3,(H,24,26)(H,25,30)/t10-,11+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402658 (5-{[(3R,4R)- or (3S,4S)-4- fluoropiperidin-3- yl]a...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCC[C@@H]4F)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F4N8O/c1-28-8-12(14(27-28)17(19,20)21)25-16(30)9-6-23-29-5-3-13(26-15(9)29)24-11-7-22-4-2-10(11)18/h3,5-6,8,10-11,22H,2,4,7H2,1H3,(H,24,26)(H,25,30)/t10-,11-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402668 (5-[(R or S)-(4,4- difluoropiperidin-3- yl)amino]-N...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCCC4(F)F)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H17F5N8O/c1-29-8-10(13(28-29)17(20,21)22)25-15(31)9-6-24-30-5-2-12(27-14(9)30)26-11-7-23-4-3-16(11,18)19/h2,5-6,8,11,23H,3-4,7H2,1H3,(H,25,31)(H,26,27)/t11-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402667 (N-[(R or S)-3- (difluoromethyl)-1- methyl-1H-pyraz...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNCCC4(F)F)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H18F4N8O/c1-28-8-10(13(27-28)14(18)19)24-16(30)9-6-23-29-5-2-12(26-15(9)29)25-11-7-22-4-3-17(11,20)21/h2,5-6,8,11,14,22H,3-4,7H2,1H3,(H,24,30)(H,25,26)/t11-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402677 (5-[(3R,5R)-3-amino- 5-fluoropiperidin-1- yl]-N-[3-...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(25-26)15(19)20)23-17(29)11-5-22-28-3-2-13(24-16(11)28)27-6-9(18)4-10(21)7-27/h2-3,5,8-10,15H,4,6-7,21H2,1H3,(H,23,29)/t9-,10-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278715 (2-[(3R)-3- aminopiperidin-1-yl]-N- [1-methyl-3- (t...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N7O.C2HF3O2/c1-26-10-13(16(25-26)18(19,20)21)23-17(29)14-6-4-12-5-7-15(24-28(12)14)27-8-2-3-11(22)9-27;3-2(4,5)1(6)7/h4-7,10-11H,2-3,8-9,22H2,1H3,(H,23,29);(H,6,7)/t11-;/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	0.5	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040798 (2018) BindingDB Entry DOI: 10.7270/Q2F191Q7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278865 (2-(3,8- diazabicyclo[3.2.1] oct-8-yl)-N-[3- (diflu...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C3CCC2CNC3)c(n1)C(F)F Show InChI InChI=1S/C18H19F2N7OS.C2HF3O2/c1-26-7-12(15(25-26)16(19)20)23-17(28)11-8-29-18-14(11)24-13(6-22-18)27-9-2-3-10(27)5-21-4-9;3-2(4,5)1(6)7/h6-10,16,21H,2-5H2,1H3,(H,23,28);(H,6,7)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278878 (2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(4-cyano...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C#N)c2n1 |r| Show InChI InChI=1S/C18H18N6OS2.C2HF3O2/c19-5-10-7-26-9-14(10)23-17(25)11-8-27-18-16(11)24-15(6-21-18)22-13-4-2-1-3-12(13)20;3-2(4,5)1(6)7/h6-9,12-13H,1-4,20H2,(H,22,24)(H,23,25);(H,6,7)/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	0.5	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278898 (2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-(cyan...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3C#N)c2n1 |r| Show InChI InChI=1S/C18H18N6OS2.C2HF3O2/c19-7-14-13(5-6-26-14)23-17(25)10-9-27-18-16(10)24-15(8-21-18)22-12-4-2-1-3-11(12)20;3-2(4,5)1(6)7/h5-6,8-9,11-12H,1-4,20H2,(H,22,24)(H,23,25);(H,6,7)/t11-,12+;/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	0.5	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278915 (2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(2- cyan...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1 |r| Show InChI InChI=1S/C20H20N6OS.C2HF3O2/c21-9-12-5-1-3-7-15(12)25-19(27)13-11-28-20-18(13)26-17(10-23-20)24-16-8-4-2-6-14(16)22;3-2(4,5)1(6)7/h1,3,5,7,10-11,14,16H,2,4,6,8,22H2,(H,24,26)(H,25,27);(H,6,7)/t14-,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	0.5	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040802 (2018) BindingDB Entry DOI: 10.7270/Q298891C
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM278716 (2-[(3R)-3- aminopiperidin-1-yl]-N- [3-(difluoromet...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2ccc3ccc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C18H21F2N7O.C2HF3O2/c1-25-10-13(16(24-25)17(19)20)22-18(28)14-6-4-12-5-7-15(23-27(12)14)26-8-2-3-11(21)9-26;3-2(4,5)1(6)7/h4-7,10-11,17H,2-3,8-9,21H2,1H3,(H,22,28);(H,6,7)/t11-;/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	0.5	n/a	n/a	n/a	n/a	7.2	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				US Patent US10040798 (2018) BindingDB Entry DOI: 10.7270/Q2F191Q7
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402681 (N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol-4- yl]-...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@@H](F)C4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(26-27)15(19)20)24-17(29)11-7-22-28-3-2-13(25-16(11)28)23-10-4-9(18)5-21-6-10/h2-3,7-10,15,21H,4-6H2,1H3,(H,23,25)(H,24,29)/t9-,10+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402684 (N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol-4- yl]-...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@H]4CNC[C@H](F)C4)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(26-27)15(19)20)24-17(29)11-7-22-28-3-2-13(25-16(11)28)23-10-4-9(18)5-21-6-10/h2-3,7-10,15,21H,4-6H2,1H3,(H,23,25)(H,24,29)/t9-,10-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402695 (2-[(3R)-3-aminopiperidin- 1-yl]-N-[3- (difluoromet...) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(nn23)N2CCC[C@@H](N)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H20F2N8O/c1-25-9-12(14(23-25)15(18)19)22-16(28)13-5-4-11-7-21-17(24-27(11)13)26-6-2-3-10(20)8-26/h4-5,7,9-10,15H,2-3,6,8,20H2,1H3,(H,22,28)/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2QC05WN
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM393974 (5-(4-{[trans-4- (morpholin-4- yl)cyclohexyl]amino}...) Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:16.16,wD:19.23,(1.92,6.67,;.39,6.67,;-.38,8,;-1.92,8,;-2.69,6.67,;-1.92,5.33,;-.38,5.33,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.92,,;-.38,,;.39,-1.33,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;.39,-4,;-.38,-2.67,;2.7,-5.33,;1.92,-6.67,;2.7,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.92,2.67,)| Show InChI InChI=1S/C23H27N5O2/c29-20-11-17(13-24-14-20)16-1-6-22-21(12-16)23(26-15-25-22)27-18-2-4-19(5-3-18)28-7-9-30-10-8-28/h1,6,11-15,18-19,29H,2-5,7-10H2,(H,25,26,27)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402809 (2-(3,8- diazabicyclo[3.2.1]oct-8- yl)-N-[3-(difluo...) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C3CCC2CNC3)c(n1)C(F)F Show InChI InChI=1S/C18H20F2N8O/c1-26-9-13(15(24-26)16(19)20)23-17(29)14-5-4-12-8-22-18(25-28(12)14)27-10-2-3-11(27)7-21-6-10/h4-5,8-11,16,21H,2-3,6-7H2,1H3,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2QC05WN
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402843 (2-[(3R,5R)-3-amino-5- fluoropiperidin-1-yl]-N-[3- ...) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(nn23)N2C[C@H](N)C[C@@H](F)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-26-8-12(14(24-26)15(19)20)23-16(29)13-3-2-11-5-22-17(25-28(11)13)27-6-9(18)4-10(21)7-27/h2-3,5,8-10,15H,4,6-7,21H2,1H3,(H,23,29)/t9-,10-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2QC05WN
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402846 (N-[3-(difluoromethyl)-1- methyl-1H-pyrazol-4-yl]- ...) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@H]4CNC[C@@H](F)C4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(25-27)15(19)20)24-16(29)13-3-2-11-7-22-17(26-28(11)13)23-10-4-9(18)5-21-6-10/h2-3,7-10,15,21H,4-6H2,1H3,(H,23,26)(H,24,29)/t9-,10+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2QC05WN
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402851 (N-[3-(difluoromethyl)-1- methyl-1H-pyrazol-4-yl]- ...) Show SMILES Cn1cc(NC(=O)c2ccc3cnc(N[C@@H]4CNC[C@@H](F)C4)nn23)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-8-12(14(25-27)15(19)20)24-16(29)13-3-2-11-7-22-17(26-28(11)13)23-10-4-9(18)5-21-6-10/h2-3,7-10,15,21H,4-6H2,1H3,(H,23,26)(H,24,29)/t9-,10-/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Ono Pharmaceutical Co., Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6567-82 (2009) BindingDB Entry DOI: 10.7270/Q2QC05WN
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394042 (2-fluoro-5-(4-{[trans-4- (morpholin-4- yl)cyclohex...) Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6,;.38,6,;-.38,4.67,;-1.93,4.67,;-2.69,6,;-1.93,7.34,;-.38,7.34,;.38,8.67,;-2.69,3.33,;-4.23,3.33,;-5,2,;-4.23,.67,;-5,-.67,;-4.23,-2,;-2.69,-2,;-1.93,-.67,;-.38,-.67,;.38,-2,;-.39,-3.33,;.38,-4.67,;1.92,-4.67,;2.69,-3.33,;1.92,-2,;2.69,-6,;1.92,-7.34,;2.69,-8.67,;4.23,-8.67,;5,-7.34,;4.23,-6,;-2.69,.67,;-1.93,2,)| Show InChI InChI=1S/C23H26FN5O2/c24-22-21(30)12-16(13-25-22)15-1-6-20-19(11-15)23(27-14-26-20)28-17-2-4-18(5-3-17)29-7-9-31-10-8-29/h1,6,11-14,17-18,30H,2-5,7-10H2,(H,26,27,28)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394051 (US9969749, Example 5-1) Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(1.64,6.77,;.1,6.77,;-.67,5.44,;-2.21,5.44,;-2.98,6.77,;-2.21,8.11,;-.67,8.11,;.1,9.44,;-2.98,4.1,;-4.52,4.1,;-5.29,2.77,;-4.52,1.44,;-5.29,.1,;-4.52,-1.23,;-2.98,-1.23,;-2.21,.1,;-.67,.1,;.1,-1.23,;-.67,-2.56,;.1,-3.9,;1.64,-3.9,;2.41,-2.56,;1.64,-1.23,;2.41,-5.23,;1.64,-6.57,;2.41,-7.9,;3.95,-7.9,;3.95,-9.44,;5.29,-8.67,;4.72,-6.57,;3.95,-5.23,;-2.98,1.44,;-2.21,2.77,)| Show InChI InChI=1S/C24H26F3N5O/c25-22-21(33)12-16(13-28-22)15-1-6-20-19(11-15)23(30-14-29-20)31-17-2-4-18(5-3-17)32-9-7-24(26,27)8-10-32/h1,6,11-14,17-18,33H,2-5,7-10H2,(H,29,30,31)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394054 (5-[4-({trans-4-[(2- methoxyethyl)amino]cyclo- hexy...) Show SMILES COCCN[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:5.4,wD:8.11,(2.69,-8,;4.23,-8,;5,-6.67,;4.23,-5.33,;2.69,-5.33,;1.92,-4,;.39,-4,;-.39,-2.67,;.39,-1.33,;1.92,-1.33,;2.7,-2.67,;-.38,,;-1.92,,;-2.69,-1.33,;-4.23,-1.33,;-5,,;-4.23,1.33,;-5,2.67,;-4.23,4,;-2.69,4,;-1.92,2.67,;-2.69,1.33,;-1.92,5.33,;-2.69,6.67,;-1.92,8,;-.38,8,;.39,6.67,;1.93,6.67,;-.38,5.33,)| Show InChI InChI=1S/C22H27N5O2/c1-29-9-8-24-17-3-5-18(6-4-17)27-22-20-11-15(2-7-21(20)25-14-26-22)16-10-19(28)13-23-12-16/h2,7,10-14,17-18,24,28H,3-6,8-9H2,1H3,(H,25,26,27)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394056 (5-[4-({trans-4-[(2R,6S)- 2,6-dimethylmorpholin-4- ...) Show SMILES C[C@H]1CN(C[C@@H](C)O1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)-c1cncc(O)c1 |r,wU:8.8,5.5,1.0,wD:11.15,(1.15,-8.67,;1.92,-7.34,;1.15,-6,;1.92,-4.67,;3.46,-4.67,;4.23,-6,;5.78,-6,;3.46,-7.34,;1.15,-3.33,;-.38,-3.33,;-1.16,-2,;-.38,-.67,;1.15,-.67,;1.93,-2,;-1.15,.67,;-2.69,.67,;-3.47,-.67,;-5,-.67,;-5.78,.67,;-5,2,;-5.78,3.33,;-5,4.67,;-3.47,4.67,;-2.69,3.33,;-3.47,2,;-2.69,6,;-3.47,7.34,;-2.69,8.67,;-1.15,8.67,;-.38,7.34,;1.15,7.34,;-1.15,6,)| Show InChI InChI=1S/C25H31N5O2/c1-16-13-30(14-17(2)32-16)21-6-4-20(5-7-21)29-25-23-10-18(3-8-24(23)27-15-28-25)19-9-22(31)12-26-11-19/h3,8-12,15-17,20-21,31H,4-7,13-14H2,1-2H3,(H,27,28,29)/t16-,17+,20-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394063 (2-fluoro-5-(4-{[trans-4- (4-fluoropiperidin-1- yl)...) Show SMILES Oc1cc(cnc1F)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:20.24,wD:17.17,(1.93,6.67,;.38,6.67,;-.38,5.33,;-1.93,5.33,;-2.69,6.67,;-1.93,8,;-.38,8,;.38,9.34,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-5,,;-4.23,-1.33,;-2.69,-1.33,;-1.93,,;-.38,,;.38,-1.33,;-.39,-2.67,;.38,-4,;1.92,-4,;2.69,-2.67,;1.92,-1.33,;2.69,-5.33,;1.92,-6.67,;2.69,-8,;4.23,-8,;5,-9.34,;5,-6.67,;4.23,-5.33,;-2.69,1.33,;-1.93,2.67,)| Show InChI InChI=1S/C24H27F2N5O/c25-17-7-9-31(10-8-17)19-4-2-18(3-5-19)30-24-20-11-15(1-6-21(20)28-14-29-24)16-12-22(32)23(26)27-13-16/h1,6,11-14,17-19,32H,2-5,7-10H2,(H,28,29,30)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394067 (5-(4-{[trans-4-(4,4- difluoropiperidin-1- yl)cyclo...) Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)(F)CC3)c2c1 |r,wU:16.16,wD:19.23,(1.64,7.44,;.1,7.44,;-.67,8.77,;-2.21,8.77,;-2.98,7.44,;-2.21,6.1,;-.67,6.1,;-2.98,4.77,;-4.52,4.77,;-5.29,3.44,;-4.52,2.1,;-5.29,.77,;-4.52,-.56,;-2.98,-.56,;-2.21,.77,;-.67,.77,;.1,-.56,;1.64,-.56,;2.41,-1.9,;1.64,-3.23,;.1,-3.23,;-.67,-1.9,;2.41,-4.56,;1.64,-5.9,;2.41,-7.23,;3.95,-7.23,;3.95,-8.77,;5.29,-8,;4.72,-5.9,;3.95,-4.56,;-2.98,2.1,;-2.21,3.44,)| Show InChI InChI=1S/C24H27F2N5O/c25-24(26)7-9-31(10-8-24)19-4-2-18(3-5-19)30-23-21-12-16(1-6-22(21)28-15-29-23)17-11-20(32)14-27-13-17/h1,6,11-15,18-19,32H,2-5,7-10H2,(H,28,29,30)/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM394068 (5-(4-{[trans-4-(4- fluoropiperidin-1- yl)cyclohexy...) Show SMILES Oc1cncc(c1)-c1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC(F)CC3)c2c1 |r,wU:16.16,wD:19.23,(1.93,7.34,;.38,7.34,;-.38,8.67,;-1.93,8.67,;-2.69,7.34,;-1.93,6,;-.38,6,;-2.69,4.67,;-4.23,4.67,;-5,3.33,;-4.23,2,;-5,.67,;-4.23,-.67,;-2.69,-.67,;-1.93,.67,;-.38,.67,;.38,-.67,;1.92,-.67,;2.69,-2,;1.92,-3.33,;.38,-3.33,;-.39,-2,;2.69,-4.67,;1.92,-6,;2.69,-7.34,;4.23,-7.34,;5,-8.67,;5,-6,;4.23,-4.67,;-2.69,2,;-1.93,3.33,)| Show InChI InChI=1S/C24H28FN5O/c25-18-7-9-30(10-8-18)20-4-2-19(3-5-20)29-24-22-12-16(1-6-23(22)27-15-28-24)17-11-21(31)14-26-13-17/h1,6,11-15,18-20,31H,2-5,7-10H2,(H,27,28,29)/t19-,20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
Purdue University					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				J Med Chem 52: 1873-84 (2009) BindingDB Entry DOI: 10.7270/Q2CN767V
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50095474 (CHEMBL3590478 | US10329294, Example 2) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C20H23N3O/c1-22(2)14-9-15-24-20-16-19(17-10-5-3-6-11-17)23(21-20)18-12-7-4-8-13-18/h3-8,10-13,16H,9,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50130684 (CHEMBL3634502 | US10329294, Example 9) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H19F3N8O/c1-27-9-12(14(26-27)17(18,19)20)24-16(29)11-8-22-28-6-4-13(25-15(11)28)23-10-3-2-5-21-7-10/h4,6,8-10,21H,2-3,5,7H2,1H3,(H,23,25)(H,24,29)/t10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM402451 (N-[3-(difluoromethyl)-1- methyl-1H-pyrazol-4-yl]- ...) Show SMILES Cn1cc(NC(=O)c2cnn3ccc(nc23)N2CCC[C@@H](O)C2)c(n1)C(F)F |r| Show InChI InChI=1S/C17H19F2N7O2/c1-24-9-12(14(23-24)15(18)19)21-17(28)11-7-20-26-6-4-13(22-16(11)26)25-5-2-3-10(27)8-25/h4,6-7,9-10,15,27H,2-3,5,8H2,1H3,(H,21,28)/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...				Bioorg Med Chem 17: 6590-605 (2009) BindingDB Entry DOI: 10.7270/Q2V40XJ3
					More data for this Ligand-Target Pair

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