Compile Data Set for Download or QSAR

Found 189 hits Enz. Inhib. hit(s) with all data for entry = 6658   

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
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144137 (US8969335, A74) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1 Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144220 (US8969335, A45) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1 Show InChI InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144137 (US8969335, A74) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cc(ccn2)C2CCNCC2)c1 Show InChI InChI=1S/C27H29N5O2/c28-18-23-15-20(1-2-25(23)34-24-7-13-33-14-8-24)22-6-12-31-27(17-22)32-26-16-21(5-11-30-26)19-3-9-29-10-4-19/h1-2,5-6,11-12,15-17,19,24,29H,3-4,7-10,13-14H2,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144220 (US8969335, A45) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CCC3CCNCC3)c2)n1 Show InChI InChI=1S/C26H31N7O2/c27-16-21-15-20(1-2-25(21)35-23-7-13-34-14-8-23)24-5-11-29-26(32-24)31-22-17-30-33(18-22)12-6-19-3-9-28-10-4-19/h1-2,5,11,15,17-19,23,28H,3-4,6-10,12-14H2,(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144164 (US8969335, A101) Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:4.7,wD:1.0,(-10.92,1.18,;-9.43,.78,;-9.03,-.7,;-7.54,-1.1,;-6.45,-.01,;-6.85,1.47,;-8.34,1.87,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.3,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.92,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144138 (US8969335, A75) Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144130 (US8969335, A67) Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144138 (US8969335, A75) Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H22N6O3/c22-12-16-11-15(1-2-20(16)30-18-4-9-29-10-5-18)19-3-6-23-21(26-19)25-17-13-24-27(14-17)7-8-28/h1-3,6,11,13-14,18,28H,4-5,7-10H2,(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144215 (US8969335, A40) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)n1 Show InChI InChI=1S/C23H25N7O2/c24-12-17-11-16(1-2-22(17)32-20-5-9-31-10-6-20)21-4-8-26-23(29-21)28-18-13-27-30(15-18)19-3-7-25-14-19/h1-2,4,8,11,13,15,19-20,25H,3,5-7,9-10,14H2,(H,26,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144164 (US8969335, A101) Show SMILES O[C@H]1CC[C@@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:4.7,wD:1.0,(-10.92,1.18,;-9.43,.78,;-9.03,-.7,;-7.54,-1.1,;-6.45,-.01,;-6.85,1.47,;-8.34,1.87,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.3,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.92,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144161 (US8969335, A98) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCOCC2)c1 Show InChI InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144219 (US8969335, A44) Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144141 (US8969335, A78) Show SMILES CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144141 (US8969335, A78) Show SMILES CN1CCC(CC1)c1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C28H31N5O2/c1-33-12-6-20(7-13-33)22-4-10-30-27(17-22)32-28-18-23(5-11-31-28)21-2-3-26(24(16-21)19-29)35-25-8-14-34-15-9-25/h2-5,10-11,16-18,20,25H,6-9,12-15H2,1H3,(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144134 (US8969335, A71) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCNCC2)c1 Show InChI InChI=1S/C26H28N6O2/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-7-12-29-26(16-20)30-25-4-2-23(31-32-25)18-5-10-28-11-6-18/h1-4,7,12,15-16,18,22,28H,5-6,8-11,13-14H2,(H,29,30,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144127 (US8969335, A64) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1 Show InChI InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144209 (US8969335, A34) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1 Show InChI InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144162 (US8969335, A99) Show SMILES OCc1cnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C22H21N5O3/c23-11-17-9-15(1-2-20(17)30-19-4-7-29-8-5-19)16-3-6-24-21(10-16)27-22-13-25-18(14-28)12-26-22/h1-3,6,9-10,12-13,19,28H,4-5,7-8,14H2,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144127 (US8969335, A64) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)n1 Show InChI InChI=1S/C24H27N7O2/c25-14-18-13-17(1-2-23(18)33-21-6-11-32-12-7-21)22-5-10-27-24(30-22)29-19-15-28-31(16-19)20-3-8-26-9-4-20/h1-2,5,10,13,15-16,20-21,26H,3-4,6-9,11-12H2,(H,27,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144210 (US8969335, A35) Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C22H24N6O3/c1-29-11-8-28-15-18(14-25-28)26-22-24-7-4-20(27-22)16-2-3-21(17(12-16)13-23)31-19-5-9-30-10-6-19/h2-4,7,12,14-15,19H,5-6,8-11H2,1H3,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144209 (US8969335, A34) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cn[nH]c2)n1 Show InChI InChI=1S/C19H18N6O2/c20-10-14-9-13(1-2-18(14)27-16-4-7-26-8-5-16)17-3-6-21-19(25-17)24-15-11-22-23-12-15/h1-3,6,9,11-12,16H,4-5,7-8H2,(H,22,23)(H,21,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144130 (US8969335, A67) Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C24H26N6O3/c25-11-17-9-16(1-2-23(17)33-21-4-7-32-8-5-21)22-3-6-26-24(29-22)28-20-12-27-30(14-20)13-18-10-19(18)15-31/h1-3,6,9,12,14,18-19,21,31H,4-5,7-8,10,13,15H2,(H,26,28,29)/t18-,19-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144135 (US8969335, A72) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCNCC2)c1 Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-29-25(14-20)32-26-17-30-23(16-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,29,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144193 (US8969335, A16) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNCC2)c1 Show InChI InChI=1S/C25H28N6O2/c26-15-20-13-18(1-2-24(20)33-23-6-11-32-12-7-23)19-3-10-28-25(14-19)30-21-16-29-31(17-21)22-4-8-27-9-5-22/h1-3,10,13-14,16-17,22-23,27H,4-9,11-12H2,(H,28,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144215 (US8969335, A40) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(c2)C2CCNC2)n1 Show InChI InChI=1S/C23H25N7O2/c24-12-17-11-16(1-2-22(17)32-20-5-9-31-10-6-20)21-4-8-26-23(29-21)28-18-13-27-30(15-18)19-3-7-25-14-19/h1-2,4,8,11,13,15,19-20,25H,3,5-7,9-10,14H2,(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144166 (US8969335, A103) Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C22H24N6O2/c1-29-10-9-28-14-19(13-25-28)26-22-24-8-7-20(27-22)17-5-6-21(18(11-17)12-23)30-15-16-3-2-4-16/h5-8,11,13-14,16H,2-4,9-10,15H2,1H3,(H,24,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144162 (US8969335, A99) Show SMILES OCc1cnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C22H21N5O3/c23-11-17-9-15(1-2-20(17)30-19-4-7-29-8-5-19)16-3-6-24-21(10-16)27-22-13-25-18(14-28)12-26-22/h1-3,6,9-10,12-13,19,28H,4-5,7-8,14H2,(H,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144158 (US8969335, A95) Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C24H26N6O2/c25-10-18-8-17(4-5-23(18)32-15-16-2-1-3-16)22-6-7-26-24(29-22)28-21-11-27-30(13-21)12-19-9-20(19)14-31/h4-8,11,13,16,19-20,31H,1-3,9,12,14-15H2,(H,26,28,29)/t19-,20-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144154 (US8969335, A91) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cccc(n2)C2CCNCC2)c1 Show InChI InChI=1S/C27H29N5O2/c28-18-22-16-20(4-5-25(22)34-23-9-14-33-15-10-23)21-8-13-30-27(17-21)32-26-3-1-2-24(31-26)19-6-11-29-12-7-19/h1-5,8,13,16-17,19,23,29H,6-7,9-12,14-15H2,(H,30,31,32)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144185 (US8969335, A7) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1 Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-23-6-11-32-12-7-23)20-5-8-28-26(16-20)30-25-4-2-22(18-29-25)31-9-13-33-14-10-31/h1-5,8,15-16,18,23H,6-7,9-14H2,(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144166 (US8969335, A103) Show SMILES COCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C22H24N6O2/c1-29-10-9-28-14-19(13-25-28)26-22-24-8-7-20(27-22)17-5-6-21(18(11-17)12-23)30-15-16-3-2-4-16/h5-8,11,13-14,16H,2-4,9-10,15H2,1H3,(H,24,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144194 (US8969335, A18) Show SMILES OCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C23H22N4O3/c24-14-19-12-17(1-2-21(19)30-20-5-9-29-10-6-20)18-4-8-26-23(13-18)27-22-11-16(15-28)3-7-25-22/h1-4,7-8,11-13,20,28H,5-6,9-10,15H2,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144161 (US8969335, A98) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCOCC2)c1 Show InChI InChI=1S/C26H27N5O3/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-3-8-28-25(14-20)31-26-17-29-23(16-30-26)18-4-9-32-10-5-18/h1-3,8,13-14,16-18,22H,4-7,9-12H2,(H,28,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144136 (US8969335, A73) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144135 (US8969335, A72) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnc(cn2)C2CCNCC2)c1 Show InChI InChI=1S/C26H28N6O2/c27-15-21-13-19(1-2-24(21)34-22-6-11-33-12-7-22)20-5-10-29-25(14-20)32-26-17-30-23(16-31-26)18-3-8-28-9-4-18/h1-2,5,10,13-14,16-18,22,28H,3-4,6-9,11-12H2,(H,29,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144144 (US8969335, A81) Show SMILES CN(C)Cc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C25H27N5O2/c1-30(2)17-18-5-9-27-24(13-18)29-25-15-20(6-10-28-25)19-3-4-23(21(14-19)16-26)32-22-7-11-31-12-8-22/h3-6,9-10,13-15,22H,7-8,11-12,17H2,1-2H3,(H,27,28,29)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144158 (US8969335, A95) Show SMILES OC[C@H]1C[C@@H]1Cn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r| Show InChI InChI=1S/C24H26N6O2/c25-10-18-8-17(4-5-23(18)32-15-16-2-1-3-16)22-6-7-26-24(29-22)28-21-11-27-30(13-21)12-19-9-20(19)14-31/h4-8,11,13,16,19-20,31H,1-3,9,12,14-15H2,(H,26,28,29)/t19-,20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144219 (US8969335, A44) Show SMILES FC(F)Cn1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H20F2N6O2/c22-20(23)13-29-12-16(11-26-29)27-21-25-6-3-18(28-21)14-1-2-19(15(9-14)10-24)31-17-4-7-30-8-5-17/h1-3,6,9,11-12,17,20H,4-5,7-8,13H2,(H,25,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144136 (US8969335, A73) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| Show InChI InChI=1S/C25H28N6O3/c26-14-18-13-17(1-6-24(18)34-22-8-11-33-12-9-22)23-7-10-27-25(30-23)29-19-15-28-31(16-19)20-2-4-21(32)5-3-20/h1,6-7,10,13,15-16,20-22,32H,2-5,8-9,11-12H2,(H,27,29,30)/t20-,21+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144217 (US8969335, A42) Show SMILES NC(=O)c1cc2cc(Nc3nccc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1 Show InChI InChI=1S/C25H21N5O4/c26-14-17-11-15(1-3-22(17)33-19-6-9-32-10-7-19)20-5-8-28-25(30-20)29-18-2-4-21-16(12-18)13-23(34-21)24(27)31/h1-5,8,11-13,19H,6-7,9-10H2,(H2,27,31)(H,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144160 (US8969335, A97) Show SMILES O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.97,-2.61,;-9.88,-1.52,;-10.28,-.04,;-9.19,1.05,;-7.7,.65,;-7.31,-.83,;-8.39,-1.92,;-6.61,1.74,;-5.15,1.27,;-4.24,2.51,;-2.76,2.91,;-1.99,1.58,;-2.76,.24,;-1.99,-1.09,;-.45,-1.09,;.32,.24,;-.45,1.58,;1.86,.24,;2.63,1.58,;4.17,1.58,;4.94,.24,;6.48,.24,;7.25,-1.09,;8.79,-1.09,;9.88,-2.18,;10.97,-1.09,;9.88,-0,;4.17,-1.09,;2.63,-1.09,;4.94,-2.42,;5.71,-3.76,;-5.15,3.76,;-6.61,3.28,)| Show InChI InChI=1S/C25H28N6O2/c26-13-19-12-18(4-9-24(19)33-16-17-2-1-3-17)23-10-11-27-25(30-23)29-20-14-28-31(15-20)21-5-7-22(32)8-6-21/h4,9-12,14-15,17,21-22,32H,1-3,5-8,16H2,(H,27,29,30)/t21-,22+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144140 (US8969335, A77) Show SMILES NCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C23H23N5O2/c24-14-16-3-7-26-22(11-16)28-23-13-18(4-8-27-23)17-1-2-21(19(12-17)15-25)30-20-5-9-29-10-6-20/h1-4,7-8,11-13,20H,5-6,9-10,14,24H2,(H,26,27,28)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144216 (US8969335, A41) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2cnn(CC3CCOC3)c2)n1 Show InChI InChI=1S/C24H26N6O3/c25-12-19-11-18(1-2-23(19)33-21-5-9-31-10-6-21)22-3-7-26-24(29-22)28-20-13-27-30(15-20)14-17-4-8-32-16-17/h1-3,7,11,13,15,17,21H,4-6,8-10,14,16H2,(H,26,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144194 (US8969335, A18) Show SMILES OCc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C23H22N4O3/c24-14-19-12-17(1-2-21(19)30-20-5-9-29-10-6-20)18-4-8-26-23(13-18)27-22-11-16(15-28)3-7-25-22/h1-4,7-8,11-13,20,28H,5-6,9-10,15H2,(H,25,26,27)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144144 (US8969335, A81) Show SMILES CN(C)Cc1ccnc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)c1 Show InChI InChI=1S/C25H27N5O2/c1-30(2)17-18-5-9-27-24(13-18)29-25-15-20(6-10-28-25)19-3-4-23(21(14-19)16-26)32-22-7-11-31-12-8-22/h3-6,9-10,13-15,22H,7-8,11-12,17H2,1-2H3,(H,27,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144157 (US8969335, A94) Show SMILES OCCn1cc(Nc2nccc(n2)-c2ccc(OCC3CCC3)c(c2)C#N)cn1 Show InChI InChI=1S/C21H22N6O2/c22-11-17-10-16(4-5-20(17)29-14-15-2-1-3-15)19-6-7-23-21(26-19)25-18-12-24-27(13-18)8-9-28/h4-7,10,12-13,15,28H,1-3,8-9,14H2,(H,23,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144192 (US8969335, A15) Show SMILES OCc1ccc(Nc2cc(ccn2)-c2ccc(OC3CCOCC3)c(c2)C#N)nc1 Show InChI InChI=1S/C23H22N4O3/c24-13-19-11-17(2-3-21(19)30-20-6-9-29-10-7-20)18-5-8-25-23(12-18)27-22-4-1-16(15-28)14-26-22/h1-5,8,11-12,14,20,28H,6-7,9-10,15H2,(H,25,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM144163 (US8969335, A100) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(nn2)C2CCOCC2)c1 Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-22-8-13-33-14-9-22)20-5-10-28-26(16-20)29-25-4-2-23(30-31-25)18-6-11-32-12-7-18/h1-5,10,15-16,18,22H,6-9,11-14H2,(H,28,29,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description The kinase assay is performed as 384-well flashplate assay (for example for Topcount measurement).0.6 nM TANK binding kinase (TBK1), 800 nM biotinyla...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144185 (US8969335, A7) Show SMILES N#Cc1cc(ccc1OC1CCOCC1)-c1ccnc(Nc2ccc(cn2)N2CCOCC2)c1 Show InChI InChI=1S/C26H27N5O3/c27-17-21-15-19(1-3-24(21)34-23-6-11-32-12-7-23)20-5-8-28-26(16-20)30-25-4-2-22(18-29-25)31-9-13-33-14-10-31/h1-5,8,15-16,18,23H,6-7,9-14H2,(H,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM144217 (US8969335, A42) Show SMILES NC(=O)c1cc2cc(Nc3nccc(n3)-c3ccc(OC4CCOCC4)c(c3)C#N)ccc2o1 Show InChI InChI=1S/C25H21N5O4/c26-14-17-11-15(1-3-22(17)33-19-6-9-32-10-7-19)20-5-8-28-25(30-20)29-18-2-4-21-16(12-18)13-23(34-21)24(27)31/h1-5,8,11-13,19H,6-7,9-10H2,(H2,27,31)(H,28,29,30)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	30
MERCK PATENT GmbH US Patent					Assay Description 1 nM IKKe, 800 nM biotinylated IkBalpha(19-42) peptide (Biotin-C6-C6-GLKKERLLDDRHDSGLDSMKDEE) and 10 μM ATP (spiked with 0.3 uCi of 33P-ATP/well) ar...				US Patent US8969335 (2015) BindingDB Entry DOI: 10.7270/Q25X27NN
					More data for this Ligand-Target Pair

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