Compile Data Set for Download or QSAR

Found 574 hits Enz. Inhib. hit(s) with all data for entry = 1961   

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))	BDBM348048 (US9790221, Compound 256) Show SMILES CC(=O)NC1(CNc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)CCCCC1 Show InChI InChI=1S/C27H32N8O/c1-19(36)33-27(10-5-4-6-11-27)18-29-26-24(23-14-31-35(3)17-23)15-28-25(32-26)21-9-7-8-20(12-21)22-13-30-34(2)16-22/h7-9,12-17H,4-6,10-11,18H2,1-3H3,(H,33,36)(H,28,29,32)	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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348049 (US9790221, Compound 257) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCS(=O)(=O)CC2)n1 Show InChI InChI=1S/C23H25N7O2S/c1-29-14-18(11-25-29)16-4-3-5-17(10-16)22-24-13-21(19-12-26-30(2)15-19)23(28-22)27-20-6-8-33(31,32)9-7-20/h3-5,10-15,20H,6-9H2,1-2H3,(H,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348054 (US9790221, Compound 262) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2(CCCCC2)NS(C)(=O)=O)n1 Show InChI InChI=1S/C26H32N8O2S/c1-33-16-21(13-29-33)19-8-7-9-20(12-19)24-27-15-23(22-14-30-34(2)17-22)25(31-24)28-18-26(32-37(3,35)36)10-5-4-6-11-26/h7-9,12-17,32H,4-6,10-11,18H2,1-3H3,(H,27,28,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348057 (US9790221, Compound 265) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CCC(CNS(C)(=O)=O)C1 Show InChI InChI=1S/C24H28N8O2S/c1-30-15-20(11-26-30)18-5-4-6-19(9-18)23-25-13-22(21-12-27-31(2)16-21)24(29-23)32-8-7-17(14-32)10-28-35(3,33)34/h4-6,9,11-13,15-17,28H,7-8,10,14H2,1-3H3	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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348058 (US9790221, Compound 266) Show SMILES CC(=O)NC12CC(C1)(C2)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C25H26N8O/c1-16(34)30-24-13-25(14-24,15-24)31-23-21(20-9-28-33(3)12-20)10-26-22(29-23)18-6-4-5-17(7-18)19-8-27-32(2)11-19/h4-12H,13-15H2,1-3H3,(H,30,34)(H,26,29,31)	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348058 (US9790221, Compound 266) Show SMILES CC(=O)NC12CC(C1)(C2)Nc1nc(ncc1-c1cnn(C)c1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C25H26N8O/c1-16(34)30-24-13-25(14-24,15-24)31-23-21(20-9-28-33(3)12-20)10-26-22(29-23)18-6-4-5-17(7-18)19-8-27-32(2)11-19/h4-12H,13-15H2,1-3H3,(H,30,34)(H,26,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348059 (US9790221, Compound 267) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCNS(C)(=O)=O)n1 Show InChI InChI=1S/C21H24N8O2S/c1-28-13-17(10-24-28)15-5-4-6-16(9-15)20-23-12-19(18-11-25-29(2)14-18)21(27-20)22-7-8-26-32(3,30)31/h4-6,9-14,26H,7-8H2,1-3H3,(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348060 (US9790221, Compound 268) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-26-30)15-5-3-6-16(9-15)23-25-12-19(18-11-27-31(2)14-18)24(29-23)28-20-7-4-8-21(32)22(20)33/h3,5-6,9-14,20-22,32-33H,4,7-8H2,1-2H3,(H,25,28,29)/t20-,21+,22-/m0/s1	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348060 (US9790221, Compound 268) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-26-30)15-5-3-6-16(9-15)23-25-12-19(18-11-27-31(2)14-18)24(29-23)28-20-7-4-8-21(32)22(20)33/h3,5-6,9-14,20-22,32-33H,4,7-8H2,1-2H3,(H,25,28,29)/t20-,21+,22-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348061 (US9790221, Compound 269) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)C3)n1 Show InChI InChI=1S/C23H24N8/c1-30-10-17(7-26-30)15-4-3-5-16(6-15)20-25-9-19(18-8-27-31(2)11-18)21(28-20)29-23-12-22(24,13-23)14-23/h3-11H,12-14,24H2,1-2H3,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348062 (US9790221, Compound 270) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(C2)(C3)NS(C)(=O)=O)n1 Show InChI InChI=1S/C24H26N8O2S/c1-31-11-18(8-26-31)16-5-4-6-17(7-16)21-25-10-20(19-9-27-32(2)12-19)22(28-21)29-23-13-24(14-23,15-23)30-35(3,33)34/h4-12,30H,13-15H2,1-3H3,(H,25,28,29)	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348062 (US9790221, Compound 270) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(C2)(C3)NS(C)(=O)=O)n1 Show InChI InChI=1S/C24H26N8O2S/c1-31-11-18(8-26-31)16-5-4-6-17(7-16)21-25-10-20(19-9-27-32(2)12-19)22(28-21)29-23-13-24(14-23,15-23)30-35(3,33)34/h4-12,30H,13-15H2,1-3H3,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348063 (US9790221, Compound 271) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(F)(F)F)n1 Show InChI InChI=1S/C20H18F3N7/c1-29-10-15(7-26-29)13-4-3-5-14(6-13)18-24-9-17(16-8-27-30(2)11-16)19(28-18)25-12-20(21,22)23/h3-11H,12H2,1-2H3,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348064 (US9790221, Compound 272) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(F)(F)C(F)(F)C(F)(F)F)n1 Show InChI InChI=1S/C22H18F7N7/c1-35-10-15(7-32-35)13-4-3-5-14(6-13)18-30-9-17(16-8-33-36(2)11-16)19(34-18)31-12-20(23,24)21(25,26)22(27,28)29/h3-11H,12H2,1-2H3,(H,30,31,34)	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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348067 (US9790221, Compound 275) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC(O)C(F)(F)F)n1 Show InChI InChI=1S/C21H20F3N7O/c1-30-11-15(7-27-30)13-4-3-5-14(6-13)19-25-9-17(16-8-28-31(2)12-16)20(29-19)26-10-18(32)21(22,23)24/h3-9,11-12,18,32H,10H2,1-2H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348068 (US9790221, Compound 276) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)C2CC2)n1 |r,wU:27.33,wD:24.26,(1.09,5.84,;-.4,6.23,;-1.3,4.99,;-2.77,5.46,;-2.77,7,;-1.3,7.48,;-4.1,4.69,;-5.44,5.46,;-6.77,4.69,;-6.77,3.15,;-5.44,2.38,;-4.1,3.15,;-5.44,.84,;-6.77,.07,;-6.77,-1.47,;-5.44,-2.24,;-5.44,-3.78,;-6.68,-4.68,;-6.21,-6.15,;-4.67,-6.15,;-3.9,-7.48,;-4.19,-4.68,;-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-.11,-2.24,;1.23,-1.47,;1.23,.07,;-.11,.84,;-1.44,.07,;2.56,.84,;3.9,.07,;3.13,-1.26,;4.67,-1.26,;5.23,.84,;6.77,.84,;6,2.18,;-4.1,.07,)| Show InChI InChI=1S/C27H32N8O2S/c1-34-16-20(13-29-34)18-4-3-5-19(12-18)26-28-15-25(21-14-30-35(2)17-21)27(32-26)31-22-6-8-23(9-7-22)33-38(36,37)24-10-11-24/h3-5,12-17,22-24,33H,6-11H2,1-2H3,(H,28,31,32)/t22-,23-	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348068 (US9790221, Compound 276) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(=O)(=O)C2CC2)n1 |r,wU:27.33,wD:24.26,(1.09,5.84,;-.4,6.23,;-1.3,4.99,;-2.77,5.46,;-2.77,7,;-1.3,7.48,;-4.1,4.69,;-5.44,5.46,;-6.77,4.69,;-6.77,3.15,;-5.44,2.38,;-4.1,3.15,;-5.44,.84,;-6.77,.07,;-6.77,-1.47,;-5.44,-2.24,;-5.44,-3.78,;-6.68,-4.68,;-6.21,-6.15,;-4.67,-6.15,;-3.9,-7.48,;-4.19,-4.68,;-4.1,-1.47,;-2.77,-2.24,;-1.44,-1.47,;-.11,-2.24,;1.23,-1.47,;1.23,.07,;-.11,.84,;-1.44,.07,;2.56,.84,;3.9,.07,;3.13,-1.26,;4.67,-1.26,;5.23,.84,;6.77,.84,;6,2.18,;-4.1,.07,)| Show InChI InChI=1S/C27H32N8O2S/c1-34-16-20(13-29-34)18-4-3-5-19(12-18)26-28-15-25(21-14-30-35(2)17-21)27(32-26)31-22-6-8-23(9-7-22)33-38(36,37)24-10-11-24/h3-5,12-17,22-24,33H,6-11H2,1-2H3,(H,28,31,32)/t22-,23-	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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348070 (US9790221, Compound 278) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCS(N)(=O)=O)n1 Show InChI InChI=1S/C20H22N8O2S/c1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-6-7-31(21,29)30/h3-5,8-13H,6-7H2,1-2H3,(H2,21,29,30)(H,22,23,26)	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348070 (US9790221, Compound 278) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCS(N)(=O)=O)n1 Show InChI InChI=1S/C20H22N8O2S/c1-27-12-16(9-24-27)14-4-3-5-15(8-14)19-23-11-18(17-10-25-28(2)13-17)20(26-19)22-6-7-31(21,29)30/h3-5,8-13H,6-7H2,1-2H3,(H2,21,29,30)(H,22,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348072 (US9790221, Compound 280) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1CC[C@H](F)[C@@H](O)C1 |r| Show InChI InChI=1S/C23H24FN7O/c1-29-12-17(9-26-29)15-4-3-5-16(8-15)22-25-11-19(18-10-27-30(2)13-18)23(28-22)31-7-6-20(24)21(32)14-31/h3-5,8-13,20-21,32H,6-7,14H2,1-2H3/t20-,21-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348073 (US9790221, Compound 281) Show SMILES CN[C@H]1CCC[C@H](Nc2nc(ncc2-c2cnn(C)c2)-c2cccc(c2)-c2cnn(C)c2)[C@@H]1O |r| Show InChI InChI=1S/C25H30N8O/c1-26-21-8-5-9-22(23(21)34)30-25-20(19-12-29-33(3)15-19)13-27-24(31-25)17-7-4-6-16(10-17)18-11-28-32(2)14-18/h4,6-7,10-15,21-23,26,34H,5,8-9H2,1-3H3,(H,27,30,31)/t21-,22-,23+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348076 (US9790221, Compound 284) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(n1)N1C[C@@H](N)CC(F)(F)C1 |r| Show InChI InChI=1S/C23H24F2N8/c1-31-11-17(8-28-31)15-4-3-5-16(6-15)21-27-10-20(18-9-29-32(2)12-18)22(30-21)33-13-19(26)7-23(24,25)14-33/h3-6,8-12,19H,7,13-14,26H2,1-2H3/t19-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348077 (US9790221, Compound 285) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@H](F)[C@H]2O)n1 |r| Show InChI InChI=1S/C24H26FN7O/c1-31-13-17(10-27-31)15-5-3-6-16(9-15)23-26-12-19(18-11-28-32(2)14-18)24(30-23)29-21-8-4-7-20(25)22(21)33/h3,5-6,9-14,20-22,33H,4,7-8H2,1-2H3,(H,26,29,30)/t20-,21-,22+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348078 (US9790221, Compound 286) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCC[C@@H](F)[C@@H]2O)n1 |r| Show InChI InChI=1S/C24H26FN7O/c1-31-13-17(10-27-31)15-5-3-6-16(9-15)23-26-12-19(18-11-28-32(2)14-18)24(30-23)29-21-8-4-7-20(25)22(21)33/h3,5-6,9-14,20-22,33H,4,7-8H2,1-2H3,(H,26,29,30)/t20-,21-,22+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348079 (US9790221, Compound 287) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC(F)(F)[C@H]2O)n1 |r| Show InChI InChI=1S/C24H25F2N7O/c1-32-13-17(10-28-32)15-5-3-6-16(9-15)22-27-12-19(18-11-29-33(2)14-18)23(31-22)30-20-7-4-8-24(25,26)21(20)34/h3,5-6,9-14,20-21,34H,4,7-8H2,1-2H3,(H,27,30,31)/t20-,21+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348080 (US9790221, Compound 288) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-31-14-18(11-27-31)16-6-5-7-17(10-16)24-26-13-20(19-12-28-32(2)15-19)25(30-24)29-21-8-3-4-9-22(33)23(21)34/h5-7,10-15,21-23,33-34H,3-4,8-9H2,1-2H3,(H,26,29,30)/t21-,22+,23-/m0/s1	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348080 (US9790221, Compound 288) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCCC[C@@H](O)[C@H]2O)n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-31-14-18(11-27-31)16-6-5-7-17(10-16)24-26-13-20(19-12-28-32(2)15-19)25(30-24)29-21-8-3-4-9-22(33)23(21)34/h5-7,10-15,21-23,33-34H,3-4,8-9H2,1-2H3,(H,26,29,30)/t21-,22+,23-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348081 (US9790221, Compound 289) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCCC[C@H](O)[C@@H]2O)n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-31-14-18(11-27-31)16-6-5-7-17(10-16)24-26-13-20(19-12-28-32(2)15-19)25(30-24)29-21-8-3-4-9-22(33)23(21)34/h5-7,10-15,21-23,33-34H,3-4,8-9H2,1-2H3,(H,26,29,30)/t21-,22+,23-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347928 (US9790221, Compound 134) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(O[C@@H]2CCC[C@@H](N)[C@@H]2O)n1 |r| Show InChI InChI=1S/C24H27N7O2/c1-30-13-17(10-27-30)15-5-3-6-16(9-15)23-26-12-19(18-11-28-31(2)14-18)24(29-23)33-21-8-4-7-20(25)22(21)32/h3,5-6,9-14,20-22,32H,4,7-8,25H2,1-2H3/t20-,21-,22+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347932 (US9790221, Compound 138) Show SMILES Cn1ccc(n1)-c1cnc(nc1NC1CCOCC1)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C23H25N7O/c1-29-9-6-21(28-29)20-14-24-22(27-23(20)26-19-7-10-31-11-8-19)17-5-3-4-16(12-17)18-13-25-30(2)15-18/h3-6,9,12-15,19H,7-8,10-11H2,1-2H3,(H,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347860 (US9790221, Compound 66) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(N)(C2)CC3)n1 |(3.28,5.83,;1.79,6.23,;.88,4.98,;-.58,5.46,;-.58,7,;.89,7.48,;-1.91,4.7,;-3.25,5.47,;-4.58,4.7,;-4.59,3.16,;-3.25,2.39,;-1.92,3.16,;-3.26,.85,;-4.59,.08,;-4.6,-1.46,;-3.26,-2.23,;-3.27,-3.77,;-4.52,-4.67,;-4.04,-6.14,;-2.5,-6.14,;-1.73,-7.48,;-2.02,-4.68,;-1.93,-1.46,;-.6,-2.24,;.74,-1.47,;2.2,-1.95,;3.11,-.7,;4.6,-1.1,;1.83,-.38,;2.2,.55,;.74,.07,;-1.93,.08,)| Show InChI InChI=1S/C24H26N8/c1-31-12-18(9-27-31)16-4-3-5-17(8-16)21-26-11-20(19-10-28-32(2)13-19)22(29-21)30-24-7-6-23(25,14-24)15-24/h3-5,8-13H,6-7,14-15,25H2,1-2H3,(H,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM348065 (US9790221, Compound 273) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@H](O)[C@@H]2O)n1 |r| Show InChI InChI=1S/C23H25N7O2/c1-29-12-16(9-25-29)14-4-3-5-15(8-14)22-24-11-18(17-10-26-30(2)13-17)23(28-22)27-19-6-7-20(31)21(19)32/h3-5,8-13,19-21,31-32H,6-7H2,1-2H3,(H,24,27,28)/t19-,20-,21+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347966 (US9790221, Compound 172) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CN(CCO2)S(C)(=O)=O)n1 Show InChI InChI=1S/C24H28N8O3S/c1-30-14-19(10-27-30)17-5-4-6-18(9-17)23-26-13-22(20-11-28-31(2)15-20)24(29-23)25-12-21-16-32(7-8-35-21)36(3,33)34/h4-6,9-11,13-15,21H,7-8,12,16H2,1-3H3,(H,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348001 (US9790221, Compound 209) Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCC(CC1)NS(=O)(=O)C1CC1)-c1cccc(c1)-c1cnn(C)c1 |(-6.88,-8.14,;-6.11,-6.81,;-4.57,-6.81,;-4.09,-5.35,;-5.33,-4.44,;-6.58,-5.34,;-5.33,-2.9,;-6.66,-2.13,;-6.66,-.59,;-5.32,.18,;-3.99,-.59,;-3.99,-2.13,;-2.66,-2.91,;-1.33,-2.14,;0,-2.92,;1.34,-2.14,;1.34,-.6,;0,.18,;-1.33,-.6,;2.68,.17,;4.01,-.6,;4.01,-2.14,;5.34,.17,;5.34,-1.37,;6.11,-2.71,;6.88,-1.37,;-5.32,1.72,;-6.65,2.49,;-6.65,4.03,;-5.31,4.8,;-3.98,4.03,;-3.98,2.49,;-2.64,4.79,;-1.18,4.31,;-.27,5.56,;-1.18,6.81,;-.41,8.14,;-2.64,6.33,)| Show InChI InChI=1S/C26H30N8O2S2/c1-16-31-32-26(37-16)23-14-27-24(18-5-3-4-17(12-18)19-13-28-34(2)15-19)30-25(23)29-20-6-8-21(9-7-20)33-38(35,36)22-10-11-22/h3-5,12-15,20-22,33H,6-11H2,1-2H3,(H,27,29,30)	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM348005 (US9790221, Compound 213) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCS(C)(=O)=O)n1 Show InChI InChI=1S/C22H25N7O2S/c1-28-14-18(11-25-28)16-6-4-7-17(10-16)21-24-13-20(19-12-26-29(2)15-19)22(27-21)23-8-5-9-32(3,30)31/h4,6-7,10-15H,5,8-9H2,1-3H3,(H,23,24,27)	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347960 (US9790221, Compound 166) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CCOC2)n1 Show InChI InChI=1S/C23H25N7O/c1-29-13-19(10-26-29)17-4-3-5-18(8-17)22-25-12-21(20-11-27-30(2)14-20)23(28-22)24-9-16-6-7-31-15-16/h3-5,8,10-14,16H,6-7,9,15H2,1-2H3,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347961 (US9790221, Compound 167) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC(O)C2)n1 Show InChI InChI=1S/C23H25N7O/c1-29-13-17(10-25-29)15-4-3-5-16(8-15)22-24-12-21(18-11-26-30(2)14-18)23(28-22)27-19-6-7-20(31)9-19/h3-5,8,10-14,19-20,31H,6-7,9H2,1-2H3,(H,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347962 (US9790221, Compound 168) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCC3CN(CC23)S(C)(=O)=O)n1 Show InChI InChI=1S/C26H30N8O2S/c1-32-13-20(10-28-32)17-5-4-6-18(9-17)25-27-12-22(21-11-29-33(2)14-21)26(31-25)30-24-8-7-19-15-34(16-23(19)24)37(3,35)36/h4-6,9-14,19,23-24H,7-8,15-16H2,1-3H3,(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347963 (US9790221, Compound 169) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC3(C2)CCN(C3)S(C)(=O)=O)n1 |(1.67,5.84,;.18,6.23,;-.72,4.99,;-2.19,5.46,;-2.19,7,;-.72,7.48,;-3.52,4.69,;-4.86,5.46,;-6.19,4.69,;-6.19,3.15,;-4.86,2.38,;-3.52,3.15,;-4.86,.84,;-6.19,.07,;-6.19,-1.47,;-4.86,-2.24,;-4.86,-3.78,;-6.1,-4.68,;-5.63,-6.15,;-4.09,-6.15,;-3.32,-7.48,;-3.61,-4.68,;-3.52,-1.47,;-2.19,-2.24,;-.86,-1.47,;.63,-1.86,;1.03,-.38,;-.46,.02,;1.51,1.09,;3.05,1.09,;3.52,-.38,;2.28,-1.28,;4.86,-1.15,;5.63,-2.48,;6.19,-.38,;4.86,.39,;-3.52,.07,)| Show InChI InChI=1S/C26H30N8O2S/c1-32-15-20(12-28-32)18-5-4-6-19(9-18)24-27-14-23(21-13-29-33(2)16-21)25(31-24)30-22-10-26(11-22)7-8-34(17-26)37(3,35)36/h4-6,9,12-16,22H,7-8,10-11,17H2,1-3H3,(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347964 (US9790221, Compound 170) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCN(C2)S(C)(=O)=O)n1 |r| Show InChI InChI=1S/C23H26N8O2S/c1-29-13-18(10-25-29)16-5-4-6-17(9-16)22-24-12-21(19-11-26-30(2)14-19)23(28-22)27-20-7-8-31(15-20)34(3,32)33/h4-6,9-14,20H,7-8,15H2,1-3H3,(H,24,27,28)/t20-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM347965 (US9790221, Compound 171) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCN(C2)S(C)(=O)=O)n1 |r| Show InChI InChI=1S/C23H26N8O2S/c1-29-13-18(10-25-29)16-5-4-6-17(9-16)22-24-12-21(19-11-26-30(2)14-19)23(28-22)27-20-7-8-31(15-20)34(3,32)33/h4-6,9-14,20H,7-8,15H2,1-3H3,(H,24,27,28)/t20-/m1/s1	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347965 (US9790221, Compound 171) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CCN(C2)S(C)(=O)=O)n1 |r| Show InChI InChI=1S/C23H26N8O2S/c1-29-13-18(10-25-29)16-5-4-6-17(9-16)22-24-12-21(19-11-26-30(2)14-19)23(28-22)27-20-7-8-31(15-20)34(3,32)33/h4-6,9-14,20H,7-8,15H2,1-3H3,(H,24,27,28)/t20-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347968 (US9790221, Compound 174) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC[C@H]2CCN(C2)S(C)(=O)=O)n1 |r| Show InChI InChI=1S/C24H28N8O2S/c1-30-15-20(11-27-30)18-5-4-6-19(9-18)23-26-13-22(21-12-28-31(2)16-21)24(29-23)25-10-17-7-8-32(14-17)35(3,33)34/h4-6,9,11-13,15-17H,7-8,10,14H2,1-3H3,(H,25,26,29)/t17-/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347970 (US9790221, Compound 176) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2CC[C@@H](C2)NS(C)(=O)=O)n1 |r| Show InChI InChI=1S/C24H28N8O2S/c1-31-14-18(11-26-31)16-5-4-6-17(9-16)23-25-13-22(19-12-27-32(2)15-19)24(29-23)28-20-7-8-21(10-20)30-35(3,33)34/h4-6,9,11-15,20-21,30H,7-8,10H2,1-3H3,(H,25,28,29)/t20-,21+/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	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347971 (US9790221, Compound 177) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCCNS(C)(=O)=O)n1 Show InChI InChI=1S/C23H28N8O2S/c1-30-15-19(12-26-30)17-7-6-8-18(11-17)22-25-14-21(20-13-27-31(2)16-20)23(29-22)24-9-4-5-10-28-34(3,32)33/h6-8,11-16,28H,4-5,9-10H2,1-3H3,(H,24,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347973 (US9790221, Compound 179) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCCCNS(C)(=O)=O)n1 Show InChI InChI=1S/C22H26N8O2S/c1-29-14-18(11-25-29)16-6-4-7-17(10-16)21-24-13-20(19-12-26-30(2)15-19)22(28-21)23-8-5-9-27-33(3,31)32/h4,6-7,10-15,27H,5,8-9H2,1-3H3,(H,23,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347974 (US9790221, Compound 180) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CO)(CO)C2)n1 Show InChI InChI=1S/C24H27N7O2/c1-30-12-18(9-26-30)16-4-3-5-17(6-16)22-25-11-21(19-10-27-31(2)13-19)23(29-22)28-20-7-24(8-20,14-32)15-33/h3-6,9-13,20,32-33H,7-8,14-15H2,1-2H3,(H,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347975 (US9790221, Compound 181) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NCC2CC(O)C2)n1 |(2.91,5.84,;1.43,6.23,;.52,4.99,;-.94,5.46,;-.94,7,;.52,7.48,;-2.28,4.69,;-3.61,5.46,;-4.94,4.69,;-4.94,3.15,;-3.61,2.38,;-2.28,3.15,;-3.61,.84,;-4.94,.07,;-4.94,-1.47,;-3.61,-2.24,;-3.61,-3.78,;-4.86,-4.68,;-4.38,-6.15,;-2.84,-6.15,;-2.07,-7.48,;-2.36,-4.68,;-2.28,-1.47,;-.94,-2.24,;.39,-1.47,;1.72,-2.24,;2.12,-3.72,;3.61,-3.33,;4.94,-4.1,;3.21,-1.84,;-2.28,.07,)| Show InChI InChI=1S/C23H25N7O/c1-29-13-18(10-26-29)16-4-3-5-17(8-16)22-25-12-21(19-11-27-30(2)14-19)23(28-22)24-9-15-6-20(31)7-15/h3-5,8,10-15,20,31H,6-7,9H2,1-2H3,(H,24,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM347976 (US9790221, Compound 182) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;3.9,-1.26,;5.44,-1.26,;-3.33,.07,)| Show InChI InChI=1S/C25H30N8O2S/c1-32-15-19(12-27-32)17-5-4-6-18(11-17)24-26-14-23(20-13-28-33(2)16-20)25(30-24)29-21-7-9-22(10-8-21)31-36(3,34)35/h4-6,11-16,21-22,31H,7-10H2,1-3H3,(H,26,29,30)/t21-,22-	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, IRAK-1 hydrolyses ATP and autophosphorylates. Measurement of I...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM347976 (US9790221, Compound 182) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)n1 |r,wU:27.33,wD:24.26,(1.86,5.84,;.37,6.23,;-.54,4.99,;-2,5.46,;-2,7,;-.54,7.48,;-3.33,4.69,;-4.67,5.46,;-6,4.69,;-6,3.15,;-4.67,2.38,;-3.33,3.15,;-4.67,.84,;-6,.07,;-6,-1.47,;-4.67,-2.24,;-4.67,-3.78,;-5.91,-4.68,;-5.44,-6.15,;-3.9,-6.15,;-3.13,-7.48,;-3.42,-4.68,;-3.33,-1.47,;-2,-2.24,;-.67,-1.47,;.67,-2.24,;2,-1.47,;2,.07,;.67,.84,;-.67,.07,;3.33,.84,;4.67,.07,;6,.84,;3.9,-1.26,;5.44,-1.26,;-3.33,.07,)| Show InChI InChI=1S/C25H30N8O2S/c1-32-15-19(12-27-32)17-5-4-6-18(11-17)24-26-14-23(20-13-28-33(2)16-20)25(30-24)29-21-7-9-22(10-8-21)31-36(3,34)35/h4-6,11-16,21-22,31H,7-10H2,1-3H3,(H,26,29,30)/t21-,22-	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-IRAK1 (194-712). IRAK4 hydrolyses ATP, autophosphorylates and phosphorylates a Serine/Threonine...				US Patent US9790221 (2017) BindingDB Entry DOI: 10.7270/Q29S1T4F
					More data for this Ligand-Target Pair

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