Compile Data Set for Download or QSAR
Found 76 Enz. Inhib. hit(s) with all data for entry = 7428
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194283(US9199999, 21)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCCCC#N
Show InChI InChI=1S/C26H28N6O/c1-18(2)15-28-24-25-29-16-23(32(25)17-22(30-24)7-5-3-4-6-14-27)19-8-10-20(11-9-19)26(33)31-21-12-13-21/h8-11,16-18,21H,3-4,6,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
Affinity DataIC50: 1nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194299(US9199999, 37)
Show SMILES COC(=O)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H29N5O3/c1-17(2)14-27-24-25-28-15-22(18-8-10-19(11-9-18)26(33)30-20-12-13-20)31(25)16-21(29-24)6-4-5-7-23(32)34-3/h8-11,15-17,20H,5,7,12-14H2,1-3H3,(H,27,29)(H,30,33)
Affinity DataIC50: 1.20nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194291(US9199999, 29)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCc1ccccc1
Show InChI InChI=1S/C29H29N5O/c1-20(2)17-30-27-28-31-18-26(22-11-13-23(14-12-22)29(35)33-24-15-16-24)34(28)19-25(32-27)10-6-9-21-7-4-3-5-8-21/h3-5,7-8,11-14,18-20,24H,9,15-17H2,1-2H3,(H,30,32)(H,33,35)
Affinity DataIC50: 1.70nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194303(US9199999, 41 | US9199999, 45)
Show SMILES CNC(=O)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H30N6O2/c1-17(2)14-28-24-25-29-15-22(18-8-10-19(11-9-18)26(34)31-20-12-13-20)32(25)16-21(30-24)6-4-5-7-23(33)27-3/h8-11,15-17,20H,5,7,12-14H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)
Affinity DataIC50: 1.80nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194305(US9199999, 43)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C29H28N6O2/c1-18(2)15-31-27-28-32-16-25(20-8-10-22(11-9-20)29(37)34-23-13-14-23)35(28)17-24(33-27)12-5-19-3-6-21(7-4-19)26(30)36/h3-4,6-11,16-18,23H,13-15H2,1-2H3,(H2,30,36)(H,31,33)(H,34,37)
Affinity DataIC50: 2.40nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194308(US9199999, 46)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C28H28N6O3S/c1-18(2)15-30-26-27-31-16-25(20-6-8-21(9-7-20)28(35)33-22-11-12-22)34(27)17-23(32-26)10-3-19-4-13-24(14-5-19)38(29,36)37/h4-9,13-14,16-18,22H,11-12,15H2,1-2H3,(H,30,32)(H,33,35)(H2,29,36,37)
Affinity DataIC50: 2.5nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194275(US9199999, 13)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC(C)(C)O
Show InChI InChI=1S/C25H29N5O2/c1-16(2)13-26-22-23-27-14-21(30(23)15-20(28-22)11-12-25(3,4)32)17-5-7-18(8-6-17)24(31)29-19-9-10-19/h5-8,14-16,19,32H,9-10,13H2,1-4H3,(H,26,28)(H,29,31)
Affinity DataIC50: 2.5nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194280(US9199999, 18)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC(C)(C)C
Show InChI InChI=1S/C26H31N5O/c1-17(2)14-27-23-24-28-15-22(31(24)16-21(29-23)12-13-26(3,4)5)18-6-8-19(9-7-18)25(32)30-20-10-11-20/h6-9,15-17,20H,10-11,14H2,1-5H3,(H,27,29)(H,30,32)
Affinity DataIC50: 3.10nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194293(US9199999, 31)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCC(C)C
Show InChI InChI=1S/C26H31N5O/c1-17(2)6-5-7-22-16-31-23(15-28-25(31)24(29-22)27-14-18(3)4)19-8-10-20(11-9-19)26(32)30-21-12-13-21/h8-11,15-18,21H,6,12-14H2,1-4H3,(H,27,29)(H,30,32)
Affinity DataIC50: 3.40nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194285(US9199999, 23)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCN(C)Cc1ccccc1
Show InChI InChI=1S/C31H34N6O/c1-22(2)18-32-29-30-33-19-28(24-11-13-25(14-12-24)31(38)35-26-15-16-26)37(30)21-27(34-29)10-7-17-36(3)20-23-8-5-4-6-9-23/h4-6,8-9,11-14,19,21-22,26H,15-18,20H2,1-3H3,(H,32,34)(H,35,38)
Affinity DataIC50: 3.70nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194298(US9199999, 36)
Show SMILES CCCCC[C@@H](O)C#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C28H35N5O2/c1-4-5-6-7-24(34)15-14-23-18-33-25(17-30-27(33)26(31-23)29-16-19(2)3)20-8-10-21(11-9-20)28(35)32-22-12-13-22/h8-11,17-19,22,24,34H,4-7,12-13,16H2,1-3H3,(H,29,31)(H,32,35)/t24-/m1/s1
Affinity DataIC50: 3.90nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194303(US9199999, 41 | US9199999, 45)
Show SMILES CNC(=O)CCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H30N6O2/c1-17(2)14-28-24-25-29-15-22(18-8-10-19(11-9-18)26(34)31-20-12-13-20)32(25)16-21(30-24)6-4-5-7-23(33)27-3/h8-11,15-17,20H,5,7,12-14H2,1-3H3,(H,27,33)(H,28,30)(H,31,34)
Affinity DataIC50: 4nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194277(US9199999, 15)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1(O)CCCC1
Show InChI InChI=1S/C27H31N5O2/c1-18(2)15-28-24-25-29-16-23(19-5-7-20(8-6-19)26(33)31-21-9-10-21)32(25)17-22(30-24)11-14-27(34)12-3-4-13-27/h5-8,16-18,21,34H,3-4,9-10,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
Affinity DataIC50: 4.10nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194238(US9199999, 62)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#CCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C27H29F3N6O3S/c1-18-15-19(4-7-22(18)26(37)34-20-5-6-20)23-16-32-25-24(31-9-8-27(28,29)30)33-21(17-36(23)25)3-2-10-35-11-13-40(38,39)14-12-35/h4,7,15-17,20H,5-6,8-14H2,1H3,(H,31,33)(H,34,37)
Affinity DataIC50: 4.20nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194267(US9199999, 5)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO
Show InChI InChI=1S/C23H25N5O2/c1-15(2)12-24-21-22-25-13-20(28(22)14-19(26-21)4-3-11-29)16-5-7-17(8-6-16)23(30)27-18-9-10-18/h5-8,13-15,18,29H,9-12H2,1-2H3,(H,24,26)(H,27,30)
Affinity DataIC50: 4.80nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194287(US9199999, 25)
Show SMILES CCCC(O)C#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H31N5O2/c1-4-5-22(32)13-12-21-16-31-23(15-28-25(31)24(29-21)27-14-17(2)3)18-6-8-19(9-7-18)26(33)30-20-10-11-20/h6-9,15-17,20,22,32H,4-5,10-11,14H2,1-3H3,(H,27,29)(H,30,33)
Affinity DataIC50: 4.80nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194282(US9199999, 20)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCC(C)O
Show InChI InChI=1S/C25H29N5O2/c1-16(2)13-26-23-24-27-14-22(30(24)15-21(28-23)6-4-5-17(3)31)18-7-9-19(10-8-18)25(32)29-20-11-12-20/h7-10,14-17,20,31H,5,11-13H2,1-3H3,(H,26,28)(H,29,32)
Affinity DataIC50: 4.80nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194230(US9199999, 58)
Show SMILES OCC#Cc1cn2c(cnc2c(NCC2CCC2)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1
Show InChI InChI=1S/C26H26N6O/c33-12-2-5-21-16-32-23(15-29-26(32)25(30-21)27-13-17-3-1-4-17)19-8-6-18(7-9-19)22-14-28-24(31-22)20-10-11-20/h6-9,14-17,20,33H,1,3-4,10-13H2,(H,27,30)(H,28,31)
Affinity DataIC50: 5.30nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194306(US9199999, 44)
Show SMILES CNC(=O)NCCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H31N7O2/c1-17(2)14-29-23-24-30-15-22(18-7-9-19(10-8-18)25(34)32-20-11-12-20)33(24)16-21(31-23)6-4-5-13-28-26(35)27-3/h7-10,15-17,20H,5,11-14H2,1-3H3,(H,29,31)(H,32,34)(H2,27,28,35)
Affinity DataIC50: 5.5nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194284(US9199999, 22)
Show SMILES CCC(O)C#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N5O2/c1-4-21(31)12-11-20-15-30-22(14-27-24(30)23(28-20)26-13-16(2)3)17-5-7-18(8-6-17)25(32)29-19-9-10-19/h5-8,14-16,19,21,31H,4,9-10,13H2,1-3H3,(H,26,28)(H,29,32)
Affinity DataIC50: 5.60nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194290(US9199999, 28)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccccn1
Show InChI InChI=1S/C27H26N6O/c1-18(2)15-29-25-26-30-16-24(19-6-8-20(9-7-19)27(34)32-22-11-12-22)33(26)17-23(31-25)13-10-21-5-3-4-14-28-21/h3-9,14,16-18,22H,11-12,15H2,1-2H3,(H,29,31)(H,32,34)
Affinity DataIC50: 6.10nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194294(US9199999, 32)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C28H27N5O2/c1-18(2)15-29-26-27-30-16-25(20-7-9-21(10-8-20)28(35)32-22-12-13-22)33(27)17-23(31-26)11-6-19-4-3-5-24(34)14-19/h3-5,7-10,14,16-18,22,34H,12-13,15H2,1-2H3,(H,29,31)(H,32,35)
Affinity DataIC50: 6.70nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194286(US9199999, 24)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCN
Show InChI InChI=1S/C23H26N6O/c1-15(2)12-25-21-22-26-13-20(29(22)14-19(27-21)4-3-11-24)16-5-7-17(8-6-16)23(30)28-18-9-10-18/h5-8,13-15,18H,9-12,24H2,1-2H3,(H,25,27)(H,28,30)
Affinity DataIC50: 6.70nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194237(US9199999, 61)
Show SMILES FC(F)(F)CCNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCN1CCS(=O)(=O)CC1
Show InChI InChI=1S/C28H28F3N7O2S/c29-28(30,31)9-10-32-26-27-34-17-24(20-5-3-19(4-6-20)23-16-33-25(36-23)21-7-8-21)38(27)18-22(35-26)2-1-11-37-12-14-41(39,40)15-13-37/h3-6,16-18,21H,7-15H2,(H,32,35)(H,33,36)
Affinity DataIC50: 6.80nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194229(US9199999, 57)
Show SMILES OCC#Cc1cn2c(cnc2c(NCCC(F)(F)F)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1
Show InChI InChI=1S/C24H21F3N6O/c25-24(26,27)9-10-28-22-23-30-13-20(33(23)14-18(31-22)2-1-11-34)16-5-3-15(4-6-16)19-12-29-21(32-19)17-7-8-17/h3-6,12-14,17,34H,7-11H2,(H,28,31)(H,29,32)
Affinity DataIC50: 7.10nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194295(US9199999, 33)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCNC(N)=O
Show InChI InChI=1S/C24H27N7O2/c1-15(2)12-27-21-22-28-13-20(31(22)14-19(29-21)4-3-11-26-24(25)33)16-5-7-17(8-6-16)23(32)30-18-9-10-18/h5-8,13-15,18H,9-12H2,1-2H3,(H,27,29)(H,30,32)(H3,25,26,33)
Affinity DataIC50: 7.20nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194276(US9199999, 14)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCCO
Show InChI InChI=1S/C24H27N5O2/c1-16(2)13-25-22-23-26-14-21(29(23)15-20(27-22)5-3-4-12-30)17-6-8-18(9-7-17)24(31)28-19-10-11-19/h6-9,14-16,19,30H,4,10-13H2,1-2H3,(H,25,27)(H,28,31)
Affinity DataIC50: 7.60nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194316(US9199999, 54)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCO
Show InChI InChI=1S/C25H26N6O/c1-16(2)12-26-24-25-28-14-22(31(25)15-20(29-24)4-3-11-32)18-7-5-17(6-8-18)21-13-27-23(30-21)19-9-10-19/h5-8,13-16,19,32H,9-12H2,1-2H3,(H,26,29)(H,27,30)
Affinity DataIC50: 8.40nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194281(US9199999, 19)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC(C)O
Show InChI InChI=1S/C24H27N5O2/c1-15(2)12-25-22-23-26-13-21(29(23)14-20(27-22)9-4-16(3)30)17-5-7-18(8-6-17)24(31)28-19-10-11-19/h5-8,13-16,19,30H,10-12H2,1-3H3,(H,25,27)(H,28,31)
Affinity DataIC50: 9.60nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194274(US9199999, 12)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1CCCCC1
Show InChI InChI=1S/C28H33N5O/c1-19(2)16-29-26-27-30-17-25(21-9-11-22(12-10-21)28(34)32-23-14-15-23)33(27)18-24(31-26)13-8-20-6-4-3-5-7-20/h9-12,17-20,23H,3-7,14-16H2,1-2H3,(H,29,31)(H,32,34)
Affinity DataIC50: 9.90nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194310(US9199999, 48)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#C
Show InChI InChI=1S/C22H23N5O/c1-4-17-13-27-19(12-24-21(27)20(25-17)23-11-14(2)3)15-5-7-16(8-6-15)22(28)26-18-9-10-18/h1,5-8,12-14,18H,9-11H2,2-3H3,(H,23,25)(H,26,28)
Affinity DataIC50: 10nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194271(US9199999, 9)
Show SMILES OCCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1(O)CCCC1
Show InChI InChI=1S/C27H31N5O3/c33-16-4-3-15-28-24-25-29-17-23(19-5-7-20(8-6-19)26(34)31-21-9-10-21)32(25)18-22(30-24)11-14-27(35)12-1-2-13-27/h5-8,17-18,21,33,35H,1-4,9-10,12-13,15-16H2,(H,28,30)(H,31,34)
Affinity DataIC50: 10nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194301(US9199999, 39)
Show SMILES CNC(=O)NCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N7O2/c1-16(2)13-28-22-23-29-14-21(17-6-8-18(9-7-17)24(33)31-19-10-11-19)32(23)15-20(30-22)5-4-12-27-25(34)26-3/h6-9,14-16,19H,10-13H2,1-3H3,(H,28,30)(H,31,33)(H2,26,27,34)
Affinity DataIC50: 11nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194314(US9199999, 52)
Show SMILES CC(=C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCO
Show InChI InChI=1S/C25H24N6O/c1-16(2)12-26-24-25-28-14-22(31(25)15-20(29-24)4-3-11-32)18-7-5-17(6-8-18)21-13-27-23(30-21)19-9-10-19/h5-8,13-15,19,32H,1,9-12H2,2H3,(H,26,29)(H,27,30)
Affinity DataIC50: 13nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194288(US9199999, 26)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCCc1ccccc1
Show InChI InChI=1S/C30H31N5O/c1-21(2)18-31-28-29-32-19-27(23-12-14-24(15-13-23)30(36)34-25-16-17-25)35(29)20-26(33-28)11-7-6-10-22-8-4-3-5-9-22/h3-5,8-9,12-15,19-21,25H,6,10,16-18H2,1-2H3,(H,31,33)(H,34,36)
Affinity DataIC50: 13nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194311(US9199999, 49)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(C(=O)NC2CC2)c(C)c1)C#CCO
Show InChI InChI=1S/C24H27N5O2/c1-15(2)12-25-22-23-26-13-21(29(23)14-19(27-22)5-4-10-30)17-6-9-20(16(3)11-17)24(31)28-18-7-8-18/h6,9,11,13-15,18,30H,7-8,10,12H2,1-3H3,(H,25,27)(H,28,31)
Affinity DataIC50: 14nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194297(US9199999, 35)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C28H26FN5O/c1-18(2)15-30-26-27-31-16-25(20-6-8-21(9-7-20)28(35)33-23-13-14-23)34(27)17-24(32-26)12-5-19-3-10-22(29)11-4-19/h3-4,6-11,16-18,23H,13-15H2,1-2H3,(H,30,32)(H,33,35)
Affinity DataIC50: 14nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194278(US9199999, 16)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCN(C)C
Show InChI InChI=1S/C25H30N6O/c1-17(2)14-26-23-24-27-15-22(31(24)16-21(28-23)6-5-13-30(3)4)18-7-9-19(10-8-18)25(32)29-20-11-12-20/h7-10,15-17,20H,11-14H2,1-4H3,(H,26,28)(H,29,32)
Affinity DataIC50: 15nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194313(US9199999, 51)
Show SMILES OCC#Cc1cn2c(cnc2c(NCCCC(F)(F)F)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1
Show InChI InChI=1S/C25H23F3N6O/c26-25(27,28)10-2-11-29-23-24-31-14-21(34(24)15-19(32-23)3-1-12-35)17-6-4-16(5-7-17)20-13-30-22(33-20)18-8-9-18/h4-7,13-15,18,35H,2,8-12H2,(H,29,32)(H,30,33)
Affinity DataIC50: 15nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194302(US9199999, 42)
Show SMILES CNC(=O)N(C)CC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C26H31N7O2/c1-17(2)14-28-23-24-29-15-22(18-7-9-19(10-8-18)25(34)31-20-11-12-20)33(24)16-21(30-23)6-5-13-32(4)26(35)27-3/h7-10,15-17,20H,11-14H2,1-4H3,(H,27,35)(H,28,30)(H,31,34)
Affinity DataIC50: 17nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194279(US9199999, 17)
Show SMILES COCC#Cc1cn2c(cnc2c(NCC(C)C)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C24H27N5O2/c1-16(2)13-25-22-23-26-14-21(29(23)15-20(27-22)5-4-12-31-3)17-6-8-18(9-7-17)24(30)28-19-10-11-19/h6-9,14-16,19H,10-13H2,1-3H3,(H,25,27)(H,28,30)
Affinity DataIC50: 17nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194309(US9199999, 47)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CC1CCCC1
Show InChI InChI=1S/C27H31N5O/c1-18(2)15-28-25-26-29-16-24(20-8-10-21(11-9-20)27(33)31-22-13-14-22)32(26)17-23(30-25)12-7-19-5-3-4-6-19/h8-11,16-19,22H,3-6,13-15H2,1-2H3,(H,28,30)(H,31,33)
Affinity DataIC50: 17nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194315(US9199999, 53)
Show SMILES OCC#Cc1cn2c(cnc2c(NCC=C)n1)-c1ccc(cc1)-c1cnc([nH]1)C1CC1
Show InChI InChI=1S/C24H22N6O/c1-2-11-25-23-24-27-14-21(30(24)15-19(28-23)4-3-12-31)17-7-5-16(6-8-17)20-13-26-22(29-20)18-9-10-18/h2,5-8,13-15,18,31H,1,9-12H2,(H,25,28)(H,26,29)
Affinity DataIC50: 18nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194270(US9199999, 8)
Show SMILES CC(C)(O)C#Cc1cn2c(cnc2c(NCCCCO)n1)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C25H29N5O3/c1-25(2,33)12-11-20-16-30-21(15-27-23(30)22(28-20)26-13-3-4-14-31)17-5-7-18(8-6-17)24(32)29-19-9-10-19/h5-8,15-16,19,31,33H,3-4,9-10,13-14H2,1-2H3,(H,26,28)(H,29,32)
Affinity DataIC50: 22nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194318(US9199999, 56)
Show SMILES OCCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)-c1cnc([nH]1)C1CC1)C#CCO
Show InChI InChI=1S/C25H26N6O2/c32-12-2-1-11-26-24-25-28-15-22(31(25)16-20(29-24)4-3-13-33)18-7-5-17(6-8-18)21-14-27-23(30-21)19-9-10-19/h5-8,14-16,19,32-33H,1-2,9-13H2,(H,26,29)(H,27,30)
Affinity DataIC50: 23nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194268(US9199999, 34 | US9199999, 6)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccccc1
Show InChI InChI=1S/C28H27N5O/c1-19(2)16-29-26-27-30-17-25(21-9-11-22(12-10-21)28(34)32-23-14-15-23)33(27)18-24(31-26)13-8-20-6-4-3-5-7-20/h3-7,9-12,17-19,23H,14-16H2,1-2H3,(H,29,31)(H,32,34)
Affinity DataIC50: 26nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194262(US9199999, 1)
Show SMILES OCCCNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO
Show InChI InChI=1S/C22H23N5O3/c28-11-1-3-18-14-27-19(13-24-21(27)20(25-18)23-10-2-12-29)15-4-6-16(7-5-15)22(30)26-17-8-9-17/h4-7,13-14,17,28-29H,2,8-12H2,(H,23,25)(H,26,30)
Affinity DataIC50: 31nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194269(US9199999, 7)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#Cc1ccccc1F
Show InChI InChI=1S/C28H26FN5O/c1-18(2)15-30-26-27-31-16-25(20-7-9-21(10-8-20)28(35)33-22-13-14-22)34(27)17-23(32-26)12-11-19-5-3-4-6-24(19)29/h3-10,16-18,22H,13-15H2,1-2H3,(H,30,32)(H,33,35)
Affinity DataIC50: 36nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194253(US9199999, 69)
Show SMILES Cc1cc(ccc1C(=O)NC1C[C@@H]1F)-c1cnc2c(NCCC(F)(F)F)nc(cn12)C#C
Show InChI InChI=1S/C22H19F4N5O/c1-3-14-11-31-18(10-28-20(31)19(29-14)27-7-6-22(24,25)26)13-4-5-15(12(2)8-13)21(32)30-17-9-16(17)23/h1,4-5,8,10-11,16-17H,6-7,9H2,2H3,(H,27,29)(H,30,32)/t16-,17?/m0/s1
Affinity DataIC50: 36nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Bayer Intellectual Property GmbH

US Patent
LigandPNGBDBM194272(US9199999, 10)
Show SMILES CC(C)(O)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)C#CCO
Show InChI InChI=1S/C23H25N5O3/c1-23(2,31)14-25-20-21-24-12-19(28(21)13-18(26-20)4-3-11-29)15-5-7-16(8-6-15)22(30)27-17-9-10-17/h5-8,12-13,17,29,31H,9-11,14H2,1-2H3,(H,25,26)(H,27,30)
Affinity DataIC50: 38nMpH: 7.7 T: 2°CAssay Description:N-terminally GST-tagged human full length recombinant Mps-1 kinase (purchased from Invitrogen, Karslruhe, Germany, cat. no PV4071 ) was used. As subs...More data for this Ligand-Target Pair
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