Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 1367   

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 1 [194-712] (Homo sapiens (Human))	BDBM318826 (US10517872, Compound 3 | US9624246, Compound 3) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cncc(CNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C23H19N7O3/c1-29-13-19-21(28-29)23(33)25-10-15-8-17(11-24-9-15)18-5-6-20(31)30(27-18)12-14-3-2-4-16(7-14)22(32)26-19/h2-9,11,13H,10,12H2,1H3,(H,25,33)(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318837 (US10517872, Compound 14 | US9624246, Compound 14) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C25H22N6O3/c1-30-15-21-23(29-30)25(34)26-11-10-16-4-2-6-18(12-16)20-8-9-22(32)31(28-20)14-17-5-3-7-19(13-17)24(33)27-21/h2-9,12-13,15H,10-11,14H2,1H3,(H,26,34)(H,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318834 (US9624246, Compound 11) Show SMILES OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1 Show InChI InChI=1S/C24H26N6O6/c31-18-11-25-24(34)22-19(13-29(28-22)17-6-8-35-9-7-17)26-23(33)16-3-1-2-15(10-16)12-30-21(32)5-4-20(27-30)36-14-18/h1-5,10,13,17-18,31H,6-9,11-12,14H2,(H,25,34)(H,26,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318832 (US10517872, Compound 9 | US9624246, Compound 9) Show SMILES O=C1NCCCOc2ccc(=O)n(Cc3cccc(n3)C(=O)Nc3cn(nc13)C1CCOCC1)n2 Show InChI InChI=1S/C23H25N7O5/c31-20-6-5-19-27-30(20)13-15-3-1-4-17(25-15)22(32)26-18-14-29(16-7-11-34-12-8-16)28-21(18)23(33)24-9-2-10-35-19/h1,3-6,14,16H,2,7-13H2,(H,24,33)(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318825 (US10517872, Compound 2 | US9624246, Compound 2) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cnn(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C22H20N8O3/c1-28-13-18-20(27-28)22(33)23-7-8-29-12-16(10-24-29)17-5-6-19(31)30(26-17)11-14-3-2-4-15(9-14)21(32)25-18/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,23,33)(H,25,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318831 (US10517872, Compound 8 | US9624246, Compound 8) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C19H19N7O4/c1-25-11-14-17(24-25)19(29)20-8-3-9-30-15-6-7-16(27)26(23-15)10-12-4-2-5-13(21-12)18(28)22-14/h2,4-7,11H,3,8-10H2,1H3,(H,20,29)(H,22,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318825 (US10517872, Compound 2 | US9624246, Compound 2) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cnn(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C22H20N8O3/c1-28-13-18-20(27-28)22(33)23-7-8-29-12-16(10-24-29)17-5-6-19(31)30(26-17)11-14-3-2-4-15(9-14)21(32)25-18/h2-6,9-10,12-13H,7-8,11H2,1H3,(H,23,33)(H,25,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318830 (US10517872, Compound 7 | US9624246, Compound 7) Show SMILES CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C23H26N6O4/c1-23(2,3)29-14-17-20(27-29)22(32)24-10-5-11-33-18-8-9-19(30)28(26-18)13-15-6-4-7-16(12-15)21(31)25-17/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,24,32)(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318829 (US10517872, Compound 6 | US9624246, Compound 6) Show SMILES O=C1NCCCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3cn(nc13)C1CCOCC1)n2 Show InChI InChI=1S/C24H26N6O5/c31-21-6-5-20-27-30(21)14-16-3-1-4-17(13-16)23(32)26-19-15-29(18-7-11-34-12-8-18)28-22(19)24(33)25-9-2-10-35-20/h1,3-6,13,15,18H,2,7-12,14H2,(H,25,33)(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318823 (US10517872, Compound 1 | US9624246, Compound 1) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C20H20N6O4/c1-25-12-15-18(24-25)20(29)21-8-3-9-30-16-6-7-17(27)26(23-16)11-13-4-2-5-14(10-13)19(28)22-15/h2,4-7,10,12H,3,8-9,11H2,1H3,(H,21,29)(H,22,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318835 (US10517872, Compound 12 | US9624246, Compound 12) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCC(O)CNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C20H20N6O5/c1-25-10-15-18(24-25)20(30)21-8-14(27)11-31-16-5-6-17(28)26(23-16)9-12-3-2-4-13(7-12)19(29)22-15/h2-7,10,14,27H,8-9,11H2,1H3,(H,21,30)(H,22,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318836 (US10517872, Compound 13 | US9624246, Compound 13) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4ccnc(CNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C23H19N7O3/c1-29-13-19-21(28-29)23(33)25-11-17-10-15(7-8-24-17)18-5-6-20(31)30(27-18)12-14-3-2-4-16(9-14)22(32)26-19/h2-10,13H,11-12H2,1H3,(H,25,33)(H,26,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318826 (US10517872, Compound 3 | US9624246, Compound 3) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cncc(CNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C23H19N7O3/c1-29-13-19-21(28-29)23(33)25-10-15-8-17(11-24-9-15)18-5-6-20(31)30(27-18)12-14-3-2-4-16(7-14)22(32)26-19/h2-9,11,13H,10,12H2,1H3,(H,25,33)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318829 (US10517872, Compound 6 | US9624246, Compound 6) Show SMILES O=C1NCCCOc2ccc(=O)n(Cc3cccc(c3)C(=O)Nc3cn(nc13)C1CCOCC1)n2 Show InChI InChI=1S/C24H26N6O5/c31-21-6-5-20-27-30(21)14-16-3-1-4-17(13-16)23(32)26-19-15-29(18-7-11-34-12-8-18)28-22(19)24(33)25-9-2-10-35-20/h1,3-6,13,15,18H,2,7-12,14H2,(H,25,33)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318828 (US10517872, Compound 5 | US9624246, Compound 5) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C21H22N6O4/c1-26-13-16-19(25-26)21(30)22-9-2-3-10-31-17-7-8-18(28)27(24-17)12-14-5-4-6-15(11-14)20(29)23-16/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,30)(H,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318828 (US10517872, Compound 5 | US9624246, Compound 5) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C21H22N6O4/c1-26-13-16-19(25-26)21(30)22-9-2-3-10-31-17-7-8-18(28)27(24-17)12-14-5-4-6-15(11-14)20(29)23-16/h4-8,11,13H,2-3,9-10,12H2,1H3,(H,22,30)(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	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318834 (US9624246, Compound 11) Show SMILES OC1CNC(=O)c2nn(cc2NC(=O)c2cccc(Cn3nc(OC1)ccc3=O)c2)C1CCOCC1 Show InChI InChI=1S/C24H26N6O6/c31-18-11-25-24(34)22-19(13-29(28-22)17-6-8-35-9-7-17)26-23(33)16-3-1-2-15(10-16)12-30-21(32)5-4-20(27-30)36-14-18/h1-5,10,13,17-18,31H,6-9,11-12,14H2,(H,25,34)(H,26,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318823 (US10517872, Compound 1 | US9624246, Compound 1) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C20H20N6O4/c1-25-12-15-18(24-25)20(29)21-8-3-9-30-16-6-7-17(27)26(23-16)11-13-4-2-5-14(10-13)19(28)22-15/h2,4-7,10,12H,3,8-9,11H2,1H3,(H,21,29)(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318837 (US10517872, Compound 14 | US9624246, Compound 14) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C25H22N6O3/c1-30-15-21-23(29-30)25(34)26-11-10-16-4-2-6-18(12-16)20-8-9-22(32)31(28-20)14-17-5-3-7-19(13-17)24(33)27-21/h2-9,12-13,15H,10-11,14H2,1H3,(H,26,34)(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318836 (US10517872, Compound 13 | US9624246, Compound 13) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4ccnc(CNC(=O)c2n1)c4)c3 Show InChI InChI=1S/C23H19N7O3/c1-29-13-19-21(28-29)23(33)25-11-17-10-15(7-8-24-17)18-5-6-20(31)30(27-18)12-14-3-2-4-16(9-14)22(32)26-19/h2-10,13H,11-12H2,1H3,(H,25,33)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318830 (US10517872, Compound 7 | US9624246, Compound 7) Show SMILES CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C23H26N6O4/c1-23(2,3)29-14-17-20(27-29)22(32)24-10-5-11-33-18-8-9-19(30)28(26-18)13-15-6-4-7-16(12-15)21(31)25-17/h4,6-9,12,14H,5,10-11,13H2,1-3H3,(H,24,32)(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318833 (US10517872, Compound 10 | US9624246, Compound 10) Show SMILES CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C22H25N7O4/c1-22(2,3)29-13-16-19(27-29)21(32)23-10-5-11-33-17-8-9-18(30)28(26-17)12-14-6-4-7-15(24-14)20(31)25-16/h4,6-9,13H,5,10-12H2,1-3H3,(H,23,32)(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318835 (US10517872, Compound 12 | US9624246, Compound 12) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCC(O)CNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C20H20N6O5/c1-25-10-15-18(24-25)20(30)21-8-14(27)11-31-16-5-6-17(28)26(23-16)9-12-3-2-4-13(7-12)19(29)22-15/h2-7,10,14,27H,8-9,11H2,1H3,(H,21,30)(H,22,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318838 (US10517872, Compound 15 | US9624246, Compound 15) Show SMILES Cc1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCn2n1)c4)c3 Show InChI InChI=1S/C24H21N5O2/c1-16-12-22-25-24(31)20-7-3-5-18(14-20)15-29-23(30)9-8-21(27-29)19-6-2-4-17(13-19)10-11-28(22)26-16/h2-9,12-14H,10-11,15H2,1H3,(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318833 (US10517872, Compound 10 | US9624246, Compound 10) Show SMILES CC(C)(C)n1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C22H25N7O4/c1-22(2,3)29-13-16-19(27-29)21(32)23-10-5-11-33-17-8-9-18(30)28(26-17)12-14-6-4-7-15(24-14)20(31)25-16/h4,6-9,13H,5,10-12H2,1-3H3,(H,23,32)(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318832 (US10517872, Compound 9 | US9624246, Compound 9) Show SMILES O=C1NCCCOc2ccc(=O)n(Cc3cccc(n3)C(=O)Nc3cn(nc13)C1CCOCC1)n2 Show InChI InChI=1S/C23H25N7O5/c31-20-6-5-19-27-30(20)13-15-3-1-4-17(25-15)22(32)26-18-14-29(16-7-11-34-12-8-16)28-21(18)23(33)24-9-2-10-35-19/h1,3-6,14,16H,2,7-13H2,(H,24,33)(H,26,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318838 (US10517872, Compound 15 | US9624246, Compound 15) Show SMILES Cc1cc2NC(=O)c3cccc(Cn4nc(ccc4=O)-c4cccc(CCn2n1)c4)c3 Show InChI InChI=1S/C24H21N5O2/c1-16-12-22-25-24(31)20-7-3-5-18(14-20)15-29-23(30)9-8-21(27-29)19-6-2-4-17(13-19)10-11-28(22)26-16/h2-9,12-14H,10-11,15H2,1H3,(H,25,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM318827 (US10517872, Compound 4 | US9624246, Compound 4) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C19H18N6O4/c1-24-11-14-17(23-24)19(28)20-7-8-29-15-5-6-16(26)25(22-15)10-12-3-2-4-13(9-12)18(27)21-14/h2-6,9,11H,7-8,10H2,1H3,(H,20,28)(H,21,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK1 is a human purified recombinant enzyme (His-TEV-IRAK1 (194-712)) In this assay, IRAK1 hydrolyses ATP and autophosphorylates. Measurement of IRA...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318827 (US10517872, Compound 4 | US9624246, Compound 4) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCNC(=O)c2n1)ccc4=O)c3 Show InChI InChI=1S/C19H18N6O4/c1-24-11-14-17(23-24)19(28)20-7-8-29-15-5-6-16(26)25(22-15)10-12-3-2-4-13(9-12)18(27)21-14/h2-6,9,11H,7-8,10H2,1H3,(H,20,28)(H,21,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM318831 (US10517872, Compound 8 | US9624246, Compound 8) Show SMILES Cn1cc2NC(=O)c3cccc(Cn4nc(OCCCNC(=O)c2n1)ccc4=O)n3 Show InChI InChI=1S/C19H19N7O4/c1-25-11-14-17(24-25)19(29)20-8-3-9-30-15-6-7-16(27)26(23-15)10-12-4-2-5-13(21-12)18(28)22-14/h2,4-7,11H,3,8-10H2,1H3,(H,20,29)(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description IRAK4 is a human purified recombinant enzyme (His-TEV-IRAK4 (1-460)). In this assay, IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Se...				US Patent US9624246 (2017) BindingDB Entry DOI: 10.7270/Q2DF6T92
					More data for this Ligand-Target Pair