Compile Data Set for Download or QSAR

Found 354 hits of ic50 for UniProtKB: P51617   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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))	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 IRAK...				US Patent US10517872 (2019) BindingDB Entry DOI: 10.7270/Q2SN0CCS
					More data for this Ligand-Target Pair
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))	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))	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))	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 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))	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))	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 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))	BDBM347808 (US9790221, Compound 14) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CCN(CC2)S(C)(=O)=O)n1 Show InChI InChI=1S/C24H28N8O2S/c1-30-15-19(12-26-30)17-5-4-6-18(11-17)23-25-14-22(20-13-27-31(2)16-20)24(29-23)28-21-7-9-32(10-8-21)35(3,33)34/h4-6,11-16,21H,7-10H2,1-3H3,(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 1 [194-712] (Homo sapiens (Human))	BDBM347822 (US9790221, Compound 28) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)(CCl)C2)n1 |(3.14,5.83,;1.65,6.23,;.74,4.98,;-.72,5.46,;-.72,7,;.75,7.48,;-2.06,4.7,;-3.39,5.47,;-4.72,4.7,;-4.73,3.16,;-3.4,2.39,;-2.06,3.16,;-3.4,.85,;-4.73,.08,;-4.74,-1.46,;-3.41,-2.23,;-3.41,-3.77,;-4.66,-4.67,;-4.19,-6.14,;-2.65,-6.14,;-1.88,-7.48,;-2.17,-4.68,;-2.07,-1.46,;-.74,-2.24,;.6,-1.47,;2.08,-1.87,;2.48,-.39,;2.89,1.1,;4.37,.7,;3.97,-.79,;4.74,-2.12,;1,.02,;-2.07,.08,)| Show InChI InChI=1S/C24H27ClN8/c1-32-12-18(9-28-32)16-4-3-5-17(6-16)22-27-11-21(19-10-29-33(2)13-19)23(31-22)30-20-7-24(8-20,14-25)15-26/h3-6,9-13,20H,7-8,14-15,26H2,1-2H3,(H,27,30,31)	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 1 [194-712] (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 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))	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 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))	BDBM347955 (US9790221, Compound 161) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@H]2CCC[C@@H](O)C2)n1 |r| Show InChI InChI=1S/C24H27N7O/c1-30-14-18(11-26-30)16-5-3-6-17(9-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-7-4-8-21(32)10-20/h3,5-6,9,11-15,20-21,32H,4,7-8,10H2,1-2H3,(H,25,28,29)/t20-,21+/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 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 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 1 [194-712] (Homo sapiens (Human))	BDBM347980 (US9790221, Compound 186) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(N)(CC2)CC3)n1 Show InChI InChI=1S/C26H30N8/c1-33-16-20(13-29-33)18-4-3-5-19(12-18)23-28-15-22(21-14-30-34(2)17-21)24(31-23)32-26-9-6-25(27,7-10-26)8-11-26/h3-5,12-17H,6-11,27H2,1-2H3,(H,28,31,32)	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, 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))	BDBM347981 (US9790221, Compound 187) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CCC(CC2)(CC3)NS(C)(=O)=O)n1 Show InChI InChI=1S/C27H32N8O2S/c1-34-17-21(14-29-34)19-5-4-6-20(13-19)24-28-16-23(22-15-30-35(2)18-22)25(31-24)32-26-7-10-27(11-8-26,12-9-26)33-38(3,36)37/h4-6,13-18,33H,7-12H2,1-3H3,(H,28,31,32)	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, 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))	BDBM347982 (US9790221, Compound 188) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC2CC(CN)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,;1.88,-1.86,;2.28,-.38,;3.61,.39,;4.94,-.38,;.79,.02,;-2.28,.07,)| Show InChI InChI=1S/C23H26N8/c1-30-13-18(10-26-30)16-4-3-5-17(8-16)22-25-12-21(19-11-27-31(2)14-19)23(29-22)28-20-6-15(7-20)9-24/h3-5,8,10-15,20H,6-7,9,24H2,1-2H3,(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 1 [194-712] (Homo sapiens (Human))	BDBM347984 (US9790221, Compound 190) 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-/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 1 [194-712] (Homo sapiens (Human))	BDBM347989 (US9790221, Compound 195) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(N[C@@H]2C[C@H](CNS(C)(=O)=O)C2)n1 |r,wD:24.26,26.29,(1.58,5.84,;.09,6.23,;-.81,4.99,;-2.28,5.46,;-2.28,7,;-.81,7.48,;-3.61,4.69,;-4.94,5.46,;-6.28,4.69,;-6.28,3.15,;-4.94,2.38,;-3.61,3.15,;-4.94,.84,;-6.28,.07,;-6.28,-1.47,;-4.94,-2.24,;-4.94,-3.78,;-6.19,-4.68,;-5.71,-6.15,;-4.17,-6.15,;-3.4,-7.48,;-3.7,-4.68,;-3.61,-1.47,;-2.28,-2.24,;-.94,-1.47,;-.54,.02,;.94,-.38,;2.28,.39,;3.61,-.38,;4.94,.39,;6.28,-.38,;4.17,1.73,;5.71,1.73,;.54,-1.86,;-3.61,.07,)| Show InChI InChI=1S/C24H28N8O2S/c1-31-14-19(11-26-31)17-5-4-6-18(9-17)23-25-13-22(20-12-27-32(2)15-20)24(30-23)29-21-7-16(8-21)10-28-35(3,33)34/h4-6,9,11-16,21,28H,7-8,10H2,1-3H3,(H,25,29,30)/t16-,21+	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))	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 1 [194-712] (Homo sapiens (Human))	BDBM348037 (US9790221, Compound 245) Show SMILES Cn1cc(cn1)-c1cccc(c1)-c1ncc(-c2cnn(C)c2)c(NC23CC(CNS(C)(=O)=O)(C2)C3)n1 Show InChI InChI=1S/C25H28N8O2S/c1-32-11-19(8-27-32)17-5-4-6-18(7-17)22-26-10-21(20-9-28-33(2)12-20)23(30-22)31-25-13-24(14-25,15-25)16-29-36(3,34)35/h4-12,29H,13-16H2,1-3H3,(H,26,30,31)	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 1 [194-712] (Homo sapiens (Human))	BDBM348045 (US9790221, Compound 253) Show SMILES Cc1nnc(s1)-c1cnc(nc1NC1CCCN(CC1)S(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 Show InChI InChI=1S/C24H28N8O2S2/c1-16-29-30-24(35-16)21-14-25-22(18-7-4-6-17(12-18)19-13-26-31(2)15-19)28-23(21)27-20-8-5-10-32(11-9-20)36(3,33)34/h4,6-7,12-15,20H,5,8-11H2,1-3H3,(H,25,27,28)	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, 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))	BDBM348046 (US9790221, Compound 254) Show SMILES Cc1nnc(s1)-c1cnc(nc1N[C@H]1CC[C@@H](CC1)NS(C)(=O)=O)-c1cccc(c1)-c1cnn(C)c1 |r,wU:13.14,wD:16.21,(-6.37,-8.15,;-5.6,-6.81,;-4.06,-6.81,;-3.58,-5.35,;-4.83,-4.44,;-6.07,-5.35,;-4.83,-2.9,;-6.16,-2.13,;-6.16,-.59,;-4.83,.18,;-3.49,-.59,;-3.49,-2.13,;-2.16,-2.9,;-.67,-2.5,;-.27,-1.02,;1.21,-.62,;2.3,-1.71,;1.9,-3.19,;.42,-3.59,;3.79,-1.31,;4.88,-2.4,;5.97,-3.49,;6.37,-2,;4.48,-3.89,;-4.83,1.72,;-6.16,2.49,;-6.16,4.03,;-4.83,4.8,;-3.49,4.03,;-3.49,2.49,;-2.16,4.8,;-.69,4.32,;.21,5.57,;-.69,6.81,;.08,8.15,;-2.16,6.34,)| Show InChI InChI=1S/C24H28N8O2S2/c1-15-29-30-24(35-15)21-13-25-22(17-6-4-5-16(11-17)18-12-26-32(2)14-18)28-23(21)27-19-7-9-20(10-8-19)31-36(3,33)34/h4-6,11-14,19-20,31H,7-10H2,1-3H3,(H,25,27,28)/t19-,20-	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))	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 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 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 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 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 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 1 [194-712] (Homo sapiens (Human))	BDBM355820 (US9815836, Compound 5) Show SMILES CN1CCNC(=O)c2nn(C)cc2NC(=O)c2cccc(n2)-c2cnn(CCOC1=O)c2 Show InChI InChI=1S/C20H22N8O4/c1-26-7-6-21-19(30)17-16(12-27(2)25-17)24-18(29)15-5-3-4-14(23-15)13-10-22-28(11-13)8-9-32-20(26)31/h3-5,10-12H,6-9H2,1-2H3,(H,21,30)(H,24,29)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355840 (US9815836, Compound 25) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C\CCCNC(=O)c2n1)c3 |t:19| Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h3,5-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)/b5-3+	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355852 (US9815836, Compound 38) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC#CCCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H19N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					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))	BDBM355843 (US9815836, Compound 29 | US9815836, Compound 34) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3 |t:21| Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2+	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355844 (US9815836, Compound 30) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C/CNC(=O)c2n1)c3 |c:21| Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2-	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355845 (US9815836, Compound 31 | US9815836, Compound 36) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-9-17(29)16(28)6-3-7-27-10-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8,10-11,16-17,28-29H,3,6-7,9H2,1H3,(H,21,31)(H,24,30)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355846 (US9815836, Compound 32) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CC(O)C(O)CCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O4/c1-26-10-15-18(25-26)20(31)21-7-3-6-16(28)17(29)11-27-9-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8-10,16-17,28-29H,3,6-7,11H2,1H3,(H,21,31)(H,24,30)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355847 (US9815836, Compound 33) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC(O)C(O)CCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-7-5-16(28)17(29)6-8-27-10-12(9-22-27)13-3-2-4-14(23-13)19(30)24-15/h2-4,9-11,16-17,28-29H,5-8H2,1H3,(H,21,31)(H,24,30)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355843 (US9815836, Compound 29 | US9815836, Compound 34) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCC\C=C\CNC(=O)c2n1)c3 |t:21| Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h2,4,6-8,11-13H,3,5,9-10H2,1H3,(H,21,29)(H,24,28)/b4-2+	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355818 (US9815836, Compound 3 | US9815836, Compound 35) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCCCCNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h6-8,11-13H,2-5,9-10H2,1H3,(H,21,29)(H,24,28)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355845 (US9815836, Compound 31 | US9815836, Compound 36) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(CCCC(O)C(O)CNC(=O)c2n1)c3 Show InChI InChI=1S/C20H23N7O4/c1-26-11-15-18(25-26)20(31)21-9-17(29)16(28)6-3-7-27-10-12(8-22-27)13-4-2-5-14(23-13)19(30)24-15/h2,4-5,8,10-11,16-17,28-29H,3,6-7,9H2,1H3,(H,21,31)(H,24,30)	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 [194-712] (Homo sapiens (Human))	BDBM355851 (US9815836, Compound 37) Show SMILES Cn1cc2NC(=O)c3cccc(n3)-c3cnn(C\C=C/CCCNC(=O)c2n1)c3 |c:19| Show InChI InChI=1S/C20H21N7O2/c1-26-13-17-18(25-26)20(29)21-9-4-2-3-5-10-27-12-14(11-22-27)15-7-6-8-16(23-15)19(28)24-17/h3,5-8,11-13H,2,4,9-10H2,1H3,(H,21,29)(H,24,28)/b5-3-	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 IRAK...				US Patent US9815836 (2017) BindingDB Entry DOI: 10.7270/Q2CZ39FC
					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	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 IRAK...				US Patent US10517872 (2019) BindingDB Entry DOI: 10.7270/Q2SN0CCS
					More data for this Ligand-Target Pair
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	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 IRAK...				US Patent US10517872 (2019) BindingDB Entry DOI: 10.7270/Q2SN0CCS
					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 IRAK...				US Patent US10517872 (2019) BindingDB Entry DOI: 10.7270/Q2SN0CCS
					More data for this Ligand-Target Pair

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