Compile Data Set for Download or QSAR

Found 109 hits Enz. Inhib. hit(s) with all data for entry = 560   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM278874 (2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(4-bromo...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Br)c2n1 |r| Show InChI InChI=1S/C17H18BrN5OS2.C2HF3O2/c18-10-7-25-8-13(10)22-16(24)9-6-26-17-15(9)23-14(5-20-17)21-12-4-2-1-3-11(12)19;3-2(4,5)1(6)7/h5-8,11-12H,1-4,19H2,(H,21,23)(H,22,24);(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	0.600	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))	BDBM278861 (2-(3,8- diazabicyclo[3.2.1] oct-3-yl)-N-[3- (diflu...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC(C2)N3)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(4-21-18)27-5-9-2-3-10(6-27)22-9;3-2(4,5)1(6)7/h4,7-10,16,22H,2-3,5-6H2,1H3,(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	0.600	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))	BDBM278859 (2-[(3S)- or (3R)- azepan-3-ylamino]-N- [1-methyl-3...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N7OS.C2HF3O2/c1-28-8-12(15(27-28)18(19,20)21)25-16(29)11-9-30-17-14(11)26-13(7-23-17)24-10-4-2-3-5-22-6-10;3-2(4,5)1(6)7/h7-10,22H,2-6H2,1H3,(H,24,26)(H,25,29);(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	0.600	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))	BDBM278851 (2-{[(1R,2S)-2- aminocyclohexyl] amino}-N-(3-bromo-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(Br)n1 |r| Show InChI InChI=1S/C17H20BrN7OS.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	0.600	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))	BDBM278877 (2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-chlor...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3Cl)c2n1 |r| Show InChI InChI=1S/C17H18ClN5OS2.C2HF3O2/c18-15-12(5-6-25-15)22-16(24)9-8-26-17-14(9)23-13(7-20-17)21-11-4-2-1-3-10(11)19;3-2(4,5)1(6)7/h5-8,10-11H,1-4,19H2,(H,21,23)(H,22,24);(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	0.600	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))	BDBM278930 (2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(4- chlo...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3Cl)c2n1 |r| Show InChI InChI=1S/C17H18ClN5OS2.C2HF3O2/c18-10-7-25-8-13(10)22-16(24)9-6-26-17-15(9)23-14(5-20-17)21-12-4-2-1-3-11(12)19;3-2(4,5)1(6)7/h5-8,11-12H,1-4,19H2,(H,21,23)(H,22,24);(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	0.700	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))	BDBM278871 (2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(4-(diflu...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3cscc3C(F)F)c2n1 |r| Show InChI InChI=1S/C18H19F2N5OS2.C2HF3O2/c19-16(20)9-6-27-8-13(9)24-17(26)10-7-28-18-15(10)25-14(5-22-18)23-12-4-2-1-3-11(12)21;3-2(4,5)1(6)7/h5-8,11-12,16H,1-4,21H2,(H,23,25)(H,24,26);(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	0.700	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))	BDBM278825 (N-[1-methyl-3- (trifluoromethyl)-1H- pyrazol-4-yl]...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7OS.C2HF3O2/c1-27-7-11(14(26-27)17(18,19)20)24-15(28)10-8-29-16-13(10)25-12(6-22-16)23-9-3-2-4-21-5-9;3-2(4,5)1(6)7/h6-9,21H,2-5H2,1H3,(H,23,25)(H,24,28);(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	0.800	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))	BDBM278912 (2-{(1R,2S)-2- aminocyclohexyl]- amino}-N-(2- chlor...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Cl)c2n1 |r| Show InChI InChI=1S/C19H20ClN5OS.C2HF3O2/c20-12-5-1-3-7-14(12)24-18(26)11-10-27-19-17(11)25-16(9-22-19)23-15-8-4-2-6-13(15)21;3-2(4,5)1(6)7/h1,3,5,7,9-10,13,15H,2,4,6,8,21H2,(H,23,25)(H,24,26);(H,6,7)/t13-,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	0.800	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))	BDBM278830 (2-[(3R)-3- aminopiperidin-1-yl]- N-[1-methyl-3- (t...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCC[C@@H](N)C2)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C17H18F3N7OS.C2HF3O2/c1-26-7-11(14(25-26)17(18,19)20)23-15(28)10-8-29-16-13(10)24-12(5-22-16)27-4-2-3-9(21)6-27;3-2(4,5)1(6)7/h5,7-9H,2-4,6,21H2,1H3,(H,23,28);(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	1	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))	BDBM278875 (2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-bromo...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3Br)c2n1 |r| Show InChI InChI=1S/C17H18BrN5OS2.C2HF3O2/c18-15-12(5-6-25-15)22-16(24)9-8-26-17-14(9)23-13(7-20-17)21-11-4-2-1-3-10(11)19;3-2(4,5)1(6)7/h5-8,10-11H,1-4,19H2,(H,21,23)(H,22,24);(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	1	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))	BDBM278844 (2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo[2.2.2] oc...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(n1)C(F)F |r| 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(5-22-18)27-6-9-2-3-10(27)4-21-9;3-2(4,5)1(6)7/h5,7-10,16,21H,2-4,6H2,1H3,(H,23,28);(H,6,7)/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	1	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))	BDBM278855 (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-;/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	2	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))	BDBM278907 (2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-(2- brom...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3Br)c2n1 |r| Show InChI InChI=1S/C19H20BrN5OS.C2HF3O2/c20-12-5-1-3-7-14(12)24-18(26)11-10-27-19-17(11)25-16(9-22-19)23-15-8-4-2-6-13(15)21;3-2(4,5)1(6)7/h1,3,5,7,9-10,13,15H,2,4,6,8,21H2,(H,23,25)(H,24,26);(H,6,7)/t13-,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	2	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))	BDBM278905 (N-(2- cyanophenyl)-2- [(3R)-piperidin- 3-ylamino]-...) Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCNC3)nc12 |r| Show InChI InChI=1S/C19H18N6OS.C2HF3O2/c20-8-12-4-1-2-6-15(12)24-18(26)14-11-27-19-17(14)25-16(10-22-19)23-13-5-3-7-21-9-13;3-2(4,5)1(6)7/h1-2,4,6,10-11,13,21H,3,5,7,9H2,(H,23,25)(H,24,26);(H,6,7)/t13-;/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	2	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))	BDBM278866 (2-(3,8- diazabicyclo[3.2.1]oct- 8-yl)-N-[1-methyl-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C3CCC2CNC3)c(n1)C(F)(F)F Show InChI InChI=1S/C18H18F3N7OS.C2HF3O2/c1-27-7-12(15(26-27)18(19,20)21)24-16(29)11-8-30-17-14(11)25-13(6-23-17)28-9-2-3-10(28)5-22-4-9;3-2(4,5)1(6)7/h6-10,22H,2-5H2,1H3,(H,24,29);(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	2	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))	BDBM278833 (N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC2)c(n1)C(F)F Show InChI InChI=1S/C16H17F2N7OS/c1-24-7-10(13(23-24)14(17)18)21-15(26)9-8-27-16-12(9)22-11(6-20-16)25-4-2-19-3-5-25/h6-8,14,19H,2-5H2,1H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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))	BDBM278832 (2-(2,5- diazabicyclo[2.2.2] oct-2-yl)-N-[3- (diflu...) Show SMILES Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC2CN3)c(n1)C(F)F Show InChI InChI=1S/C18H19F2N7OS/c1-26-7-12(15(25-26)16(19)20)23-17(28)11-8-29-18-14(11)24-13(5-22-18)27-6-9-2-3-10(27)4-21-9/h5,7-10,16,21H,2-4,6H2,1H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM278913 (2-[(3S)- or (3R)- azepan-3- ylamino]-N-(2- cyanoph...) Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@H]3CCCCNC3)nc12 |r| Show InChI InChI=1S/C20H20N6OS.C2HF3O2/c21-9-13-5-1-2-7-16(13)25-19(27)15-12-28-20-18(15)26-17(11-23-20)24-14-6-3-4-8-22-10-14;3-2(4,5)1(6)7/h1-2,5,7,11-12,14,22H,3-4,6,8,10H2,(H,24,26)(H,25,27);(H,6,7)/t14-;/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	4	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))	BDBM278836 (2-(azepan-3-ylamino)- N-[1-methyl-3 (trifluorometh...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(NC4CCCCNC4)nc23)c(n1)C(F)(F)F Show InChI InChI=1S/C18H20F3N7OS.C2HF3O2/c1-28-8-12(15(27-28)18(19,20)21)25-16(29)11-9-30-17-14(11)26-13(7-23-17)24-10-4-2-3-5-22-6-10;3-2(4,5)1(6)7/h7-10,22H,2-6H2,1H3,(H,24,26)(H,25,29);(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	4	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))	BDBM278835 (2-(1,4-diazepan-1-yl)- N-[3-(difluoromethyl)- 1-me...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)F Show InChI InChI=1S/C17H19F2N7OS/c1-25-8-11(14(24-25)15(18)19)22-16(27)10-9-28-17-13(10)23-12(7-21-17)26-5-2-3-20-4-6-26/h7-9,15,20H,2-6H2,1H3,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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))	BDBM278834 (2-(5,8- diazaspiro[2.6]non-5- yl)-N-[3- (difluorom...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)F Show InChI InChI=1S/C19H21F2N7OS/c1-27-7-12(15(26-27)16(20)21)24-17(29)11-8-30-18-14(11)25-13(6-23-18)28-5-4-22-9-19(10-28)2-3-19/h6-8,16,22H,2-5,9-10H2,1H3,(H,24,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM278852 (2-[(3S)- or (3R)- azepan-3-ylamino]-N- [1-methyl-3...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(N[C@H]4CCCCNC4)nc23)c(n1)C(F)(F)F |r| Show InChI InChI=1S/C18H20F3N7OS.C2HF3O2/c1-28-8-12(15(27-28)18(19,20)21)25-16(29)11-9-30-17-14(11)26-13(7-23-17)24-10-4-2-3-5-22-6-10;3-2(4,5)1(6)7/h7-10,22H,2-6H2,1H3,(H,24,26)(H,25,29);(H,6,7)/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	7	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))	BDBM278843 (2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo[2.2.2] oc...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@@H]3CC[C@H]2CN3)c(n1)C(F)F |r| 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(5-22-18)27-6-9-2-3-10(27)4-21-9;3-2(4,5)1(6)7/h5,7-10,16,21H,2-4,6H2,1H3,(H,23,28);(H,6,7)/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	7	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))	BDBM278914 (2-[(3S)- or (3R)- azepan-3- ylamino]-N-(2- cyanoph...) Show SMILES OC(=O)C(F)(F)F.O=C(Nc1ccccc1C#N)c1csc2ncc(N[C@@H]3CCCCNC3)nc12 |r| Show InChI InChI=1S/C20H20N6OS.C2HF3O2/c21-9-13-5-1-2-7-16(13)25-19(27)15-12-28-20-18(15)26-17(11-23-20)24-14-6-3-4-8-22-10-14;3-2(4,5)1(6)7/h1-2,5,7,11-12,14,22H,3-4,6,8,10H2,(H,24,26)(H,25,27);(H,6,7)/t14-;/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	9	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))	BDBM278897 (2-{[(1R,2S)-2-amino- cyclohexyl]amino}- N-(2-(trif...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccsc3C(F)(F)F)c2n1 |r| Show InChI InChI=1S/C18H18F3N5OS2.C2HF3O2/c19-18(20,21)15-12(5-6-28-15)25-16(27)9-8-29-17-14(9)26-13(7-23-17)24-11-4-2-1-3-10(11)22;3-2(4,5)1(6)7/h5-8,10-11H,1-4,22H2,(H,24,26)(H,25,27);(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	12	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))	BDBM278839 (N-(3-chloro-1-methyl- 1H-pyrazol-4-yl)-2- (1,4-dia...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(Cl)n1 Show InChI InChI=1S/C16H18ClN7OS/c1-23-8-11(14(17)22-23)20-15(25)10-9-26-16-13(10)21-12(7-19-16)24-5-2-3-18-4-6-24/h7-9,18H,2-6H2,1H3,(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	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))	BDBM278838 (N-(3-chloro-1-methyl- 1H-pyrazol-4-yl)-2- [(1S,4S)...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Cl)n1 |r| Show InChI InChI=1S/C17H18ClN7OS.C2HF3O2/c1-24-7-12(15(18)23-24)21-16(26)11-8-27-17-14(11)22-13(5-20-17)25-6-9-2-3-10(25)4-19-9;3-2(4,5)1(6)7/h5,7-10,19H,2-4,6H2,1H3,(H,21,26);(H,6,7)/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	15	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))	BDBM278842 (N-(3-bromo-1-methyl- 1H-pyrazol-4-yl)-2- (1,4-diaz...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(Br)n1 Show InChI InChI=1S/C16H18BrN7OS/c1-23-8-11(14(17)22-23)20-15(25)10-9-26-16-13(10)21-12(7-19-16)24-5-2-3-18-4-6-24/h7-9,18H,2-6H2,1H3,(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM278863 (2-{[(1R,2S)-2- aminocyclohexyl]amino}- N-(1-methyl...) Show SMILES OC(=O)C(F)(F)F.C[N]1=C(C(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)=CN1)C(F)(F)F |r,c:32,t:7| Show InChI InChI=1S/C18H21F3N7OS.C2HF3O2/c1-28-15(18(19,20)21)12(6-24-28)26-16(29)9-8-30-17-14(9)27-13(7-23-17)25-11-5-3-2-4-10(11)22;3-2(4,5)1(6)7/h6-8,10-11,24H,2-5,22H2,1H3,(H,25,27)(H,26,29);(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	16	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))	BDBM278827 (2-(1,4-diazepan-1-yl)- N-[1-methyl-3- (trifluorome...) Show SMILES Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C(F)(F)F Show InChI InChI=1S/C17H18F3N7OS/c1-26-8-11(14(25-26)17(18,19)20)23-15(28)10-9-29-16-13(10)24-12(7-22-16)27-5-2-3-21-4-6-27/h7-9,21H,2-6H2,1H3,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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))	BDBM278829 (2-(5,8- diazaspiro[2.6]non-5- yl)-N-[1-methyl-3- (...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCNCC3(CC3)C2)c(n1)C(F)(F)F Show InChI InChI=1S/C19H20F3N7OS/c1-28-7-12(15(27-28)19(20,21)22)25-16(30)11-8-31-17-14(11)26-13(6-24-17)29-5-4-23-9-18(10-29)2-3-18/h6-8,23H,2-5,9-10H2,1H3,(H,25,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	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))	BDBM278862 (2-(3,8- diazabicyclo[3.2.1]oct- 3-yl)-N-[1-methyl-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CC3CCC(C2)N3)c(n1)C(F)(F)F Show InChI InChI=1S/C18H18F3N7OS.C2HF3O2/c1-27-7-12(15(26-27)18(19,20)21)24-16(29)11-8-30-17-14(11)25-13(4-22-17)28-5-9-2-3-10(6-28)23-9;3-2(4,5)1(6)7/h4,7-10,23H,2-3,5-6H2,1H3,(H,24,29);(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	18	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))	BDBM278841 (N-(3-bromo-1-methyl- 1H-pyrazol-4-yl)-2- [(1S,4S)-...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2C[C@H]3CC[C@@H]2CN3)c(Br)n1 |r| Show InChI InChI=1S/C17H18BrN7OS.C2HF3O2/c1-24-7-12(15(18)23-24)21-16(26)11-8-27-17-14(11)22-13(5-20-17)25-6-9-2-3-10(25)4-19-9;3-2(4,5)1(6)7/h5,7-10,19H,2-4,6H2,1H3,(H,21,26);(H,6,7)/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	19	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))	BDBM278880 (2-[(1S,4S)- or (1R,4R)- 2,5-diazabicyclo [2.2.2]oc...) Show SMILES OC(=O)C(F)(F)F.FC(F)c1cscc1NC(=O)c1csc2ncc(nc12)N1C[C@H]2CC[C@@H]1CN2 |r| Show InChI InChI=1S/C18H17F2N5OS2.C2HF3O2/c19-16(20)11-6-27-8-13(11)23-17(26)12-7-28-18-15(12)24-14(4-22-18)25-5-9-1-2-10(25)3-21-9;3-2(4,5)1(6)7/h4,6-10,16,21H,1-3,5H2,(H,23,26);(H,6,7)/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	21	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))	BDBM278922 (2-{[(1R,2S)-2- aminocyclohexyl]- amino}-N-[2- (dif...) Show SMILES OC(=O)C(F)(F)F.N[C@H]1CCCC[C@H]1Nc1cnc2scc(C(=O)Nc3ccccc3C(F)F)c2n1 |r| Show InChI InChI=1S/C20H21F2N5OS.C2HF3O2/c21-18(22)11-5-1-3-7-14(11)26-19(28)12-10-29-20-17(12)27-16(9-24-20)25-15-8-4-2-6-13(15)23;3-2(4,5)1(6)7/h1,3,5,7,9-10,13,15,18H,2,4,6,8,23H2,(H,25,27)(H,26,28);(H,6,7)/t13-,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	25	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))	BDBM278849 (N-(3-cyano-1-methyl- 1H-pyrazol-4-yl)-2- (1,4-diaz...) Show SMILES OC(=O)C(F)(F)F.Cn1cc(NC(=O)c2csc3ncc(nc23)N2CCCNCC2)c(n1)C#N Show InChI InChI=1S/C17H18N8OS/c1-24-9-13(12(7-18)23-24)21-16(26)11-10-27-17-15(11)22-14(8-20-17)25-5-2-3-19-4-6-25/h8-10,19H,2-6H2,1H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	26	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))	BDBM278831 (N-[3-(difluoromethyl)- 1-methyl-1H-pyrazol- 4-yl]-...) Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4O)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H20F2N6O2S/c1-26-7-11(15(25-26)16(19)20)23-17(28)9-8-29-18-14(9)24-13(6-21-18)22-10-4-2-3-5-12(10)27/h6-8,10,12,16,27H,2-5H2,1H3,(H,22,24)(H,23,28)/t10-,12+/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	30	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))	BDBM278860 (2-{[(1R,2R)-2-amino- 3,3-difluorocyclohexyl] amino...) Show SMILES Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC(F)(F)[C@@H]4N)nc23)c(n1)C(F)F |r| Show InChI InChI=1S/C18H19F4N7OS/c1-29-6-10(13(28-29)15(19)20)26-16(30)8-7-31-17-12(8)27-11(5-24-17)25-9-3-2-4-18(21,22)14(9)23/h5-7,9,14-15H,2-4,23H2,1H3,(H,25,27)(H,26,30)/t9-,14-/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	32	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))	BDBM278904 (2-[(3R)-3- aminopiperidin- 1-yl]-N-(2- cyanophenyl...) Show SMILES OC(=O)C(F)(F)F.N[C@@H]1CCCN(C1)c1cnc2scc(C(=O)Nc3ccccc3C#N)c2n1 |r| Show InChI InChI=1S/C19H18N6OS.C2HF3O2/c20-8-12-4-1-2-6-15(12)23-18(26)14-11-27-19-17(14)24-16(9-22-19)25-7-3-5-13(21)10-25;3-2(4,5)1(6)7/h1-2,4,6,9,11,13H,3,5,7,10,21H2,(H,23,26);(H,6,7)/t13-;/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	33	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

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