Compile Data Set for Download or QSAR
Found 230 Enz. Inhib. hit(s) with all data for entry = 5968
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103214(US8541407, 191)
Show SMILES O=c1[nH]c(cn1C1CCN(Cc2ccc(cc2)-c2nnc3-c4ccccc4Nc4ncccc4-n23)CC1)-c1ccccc1
Show InChI InChI=1S/C34H30N8O/c43-34-37-29(24-7-2-1-3-8-24)22-41(34)26-16-19-40(20-17-26)21-23-12-14-25(15-13-23)32-38-39-33-27-9-4-5-10-28(27)36-31-30(42(32)33)11-6-18-35-31/h1-15,18,22,26H,16-17,19-21H2,(H,35,36)(H,37,43)
Affinity DataIC50: 48nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103070(US8541407, 47)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H18N6O3/c34-27(17-9-12-22-23(14-17)36-15-35-22)29-18-10-7-16(8-11-18)25-31-32-26-19-4-1-2-5-20(19)30-24-21(33(25)26)6-3-13-28-24/h1-14H,15H2,(H,28,30)(H,29,34)
Affinity DataIC50: 53nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103082(US8541407, 59)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccccc1
Show InChI InChI=1S/C26H18N6O/c33-26(18-7-2-1-3-8-18)28-19-14-12-17(13-15-19)24-30-31-25-20-9-4-5-10-21(20)29-23-22(32(24)25)11-6-16-27-23/h1-16H,(H,27,29)(H,28,33)
Affinity DataIC50: 70nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103216(US8541407, 193)
Show SMILES O=C(NC1(CCC1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccccc1
Show InChI InChI=1S/C30H24N6O/c37-29(21-8-2-1-3-9-21)33-30(17-7-18-30)22-15-13-20(14-16-22)27-34-35-28-23-10-4-5-11-24(23)32-26-25(36(27)28)12-6-19-31-26/h1-6,8-16,19H,7,17-18H2,(H,31,32)(H,33,37)
Affinity DataIC50: 73nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103083(US8541407, 60)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1cccc(c1)[N+]#[C-]
Show InChI InChI=1S/C27H17N7O/c1-28-20-7-4-6-18(16-20)27(35)30-19-13-11-17(12-14-19)25-32-33-26-21-8-2-3-9-22(21)31-24-23(34(25)26)10-5-15-29-24/h2-16H,(H,29,31)(H,30,35)
Affinity DataIC50: 76nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103047(US8541407, 24)
Show SMILES O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2nnc3-c4ccccc4Nc4ncccc4-n23)CC1
Show InChI InChI=1S/C32H28N8O/c41-32-35-26-8-3-4-9-27(26)39(32)23-15-18-38(19-16-23)20-21-11-13-22(14-12-21)30-36-37-31-24-6-1-2-7-25(24)34-29-28(40(30)31)10-5-17-33-29/h1-14,17,23H,15-16,18-20H2,(H,33,34)(H,35,41)
Affinity DataIC50: 83nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103086(US8541407, 63)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C32H28N10/c1-2-7-25-24(6-1)32-40-39-31(42(32)27-9-5-17-34-30(27)35-25)23-12-10-21(11-13-23)20-41-18-14-22(15-19-41)28-36-29(38-37-28)26-8-3-4-16-33-26/h1-13,16-17,22H,14-15,18-20H2,(H,34,35)(H,36,37,38)
Affinity DataIC50: 84nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103251(US8541407, 228)
Show SMILES Brc1ccc2Nc3ncccc3-n3c(nnc3-c2c1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
Show InChI InChI=1S/C32H27BrN10/c33-23-10-11-25-24(18-23)32-41-40-31(43(32)27-5-3-15-35-30(27)36-25)22-8-6-20(7-9-22)19-42-16-12-21(13-17-42)28-37-29(39-38-28)26-4-1-2-14-34-26/h1-11,14-15,18,21H,12-13,16-17,19H2,(H,35,36)(H,37,38,39)
Affinity DataIC50: 96nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103149(US8541407, 126)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C23H20N6/c24-23(12-4-13-23)16-10-8-15(9-11-16)21-27-28-22-17-5-1-2-6-18(17)26-20-19(29(21)22)7-3-14-25-20/h1-3,5-11,14H,4,12-13,24H2,(H,25,26)
Affinity DataIC50: 99nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103053(US8541407, 30)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H20N6O/c1-17-8-10-19(11-9-17)27(34)29-20-14-12-18(13-15-20)25-31-32-26-21-5-2-3-6-22(21)30-24-23(33(25)26)7-4-16-28-24/h2-16H,1H3,(H,28,30)(H,29,34)
Affinity DataIC50: 100nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103074(US8541407, 51)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H17FN6O/c27-20-8-3-1-6-18(20)26(34)29-17-13-11-16(12-14-17)24-31-32-25-19-7-2-4-9-21(19)30-23-22(33(24)25)10-5-15-28-23/h1-15H,(H,28,30)(H,29,34)
Affinity DataIC50: 110nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103079(US8541407, 56)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H17FN6O/c27-18-11-7-17(8-12-18)26(34)29-19-13-9-16(10-14-19)24-31-32-25-20-4-1-2-5-21(20)30-23-22(33(24)25)6-3-15-28-23/h1-15H,(H,28,30)(H,29,34)
Affinity DataIC50: 110nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103138(US8541407, 115)
Show SMILES Cc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H22N6O2S/c1-18-6-4-7-21(16-18)36(34,35)29-17-19-11-13-20(14-12-19)26-31-32-27-22-8-2-3-9-23(22)30-25-24(33(26)27)10-5-15-28-25/h2-16,29H,17H2,1H3,(H,28,30)
Affinity DataIC50: 110nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103141(US8541407, 118)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H22N6O2S/c1-18-8-14-21(15-9-18)36(34,35)29-17-19-10-12-20(13-11-19)26-31-32-27-22-5-2-3-6-23(22)30-25-24(33(26)27)7-4-16-28-25/h2-16,29H,17H2,1H3,(H,28,30)
Affinity DataIC50: 110nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103121(US8541407, 98)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C29H25N7O/c1-35(2)22-15-13-21(14-16-22)29(37)31-18-19-9-11-20(12-10-19)27-33-34-28-23-6-3-4-7-24(23)32-26-25(36(27)28)8-5-17-30-26/h3-17H,18H2,1-2H3,(H,30,32)(H,31,37)
Affinity DataIC50: 110nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103133(US8541407, 110)
Show SMILES O=C(NCCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)Nc1ccccc1
Show InChI InChI=1S/C28H23N7O/c36-28(31-21-7-2-1-3-8-21)30-18-16-19-12-14-20(15-13-19)26-33-34-27-22-9-4-5-10-23(22)32-25-24(35(26)27)11-6-17-29-25/h1-15,17H,16,18H2,(H,29,32)(H2,30,31,36)
Affinity DataIC50: 120nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103140(US8541407, 117)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H19FN6O2S/c27-19-11-13-20(14-12-19)36(34,35)29-16-17-7-9-18(10-8-17)25-31-32-26-21-4-1-2-5-22(21)30-24-23(33(25)26)6-3-15-28-24/h1-15,29H,16H2,(H,28,30)
Affinity DataIC50: 120nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103071(US8541407, 48)
Show SMILES Cc1cc(no1)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C24H17N7O2/c1-14-13-19(30-33-14)24(32)26-16-10-8-15(9-11-16)22-28-29-23-17-5-2-3-6-18(17)27-21-20(31(22)23)7-4-12-25-21/h2-13H,1H3,(H,25,27)(H,26,32)
Affinity DataIC50: 120nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103127(US8541407, 104)
Show SMILES Cn1ccc(n1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C24H20N8O2S/c1-31-14-12-21(30-31)35(33,34)26-15-16-8-10-17(11-9-16)23-28-29-24-18-5-2-3-6-19(18)27-22-20(32(23)24)7-4-13-25-22/h2-14,26H,15H2,1H3,(H,25,27)
Affinity DataIC50: 120nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103146(US8541407, 123)
Show SMILES COc1cccc(NC(=O)NCc2ccc(cc2)-c2nnc3-c4ccccc4Nc4ncccc4-n23)c1
Show InChI InChI=1S/C28H23N7O2/c1-37-21-7-4-6-20(16-21)31-28(36)30-17-18-11-13-19(14-12-18)26-33-34-27-22-8-2-3-9-23(22)32-25-24(35(26)27)10-5-15-29-25/h2-16H,17H2,1H3,(H,29,32)(H2,30,31,36)
Affinity DataIC50: 130nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103073(US8541407, 50)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccco1
Show InChI InChI=1S/C24H16N6O2/c31-24(20-8-4-14-32-20)26-16-11-9-15(10-12-16)22-28-29-23-17-5-1-2-6-18(17)27-21-19(30(22)23)7-3-13-25-21/h1-14H,(H,25,27)(H,26,31)
Affinity DataIC50: 130nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103242(US8541407, 219)
Show SMILES NC1(CCC1)c1ccc(cc1)-c1nnc2-c3cc(Br)ccc3Nc3ncccc3-n12
Show InChI InChI=1S/C23H19BrN6/c24-16-8-9-18-17(13-16)22-29-28-21(30(22)19-3-1-12-26-20(19)27-18)14-4-6-15(7-5-14)23(25)10-2-11-23/h1,3-9,12-13H,2,10-11,25H2,(H,26,27)
Affinity DataIC50: 130nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103245(US8541407, 222)
Show SMILES NC1(CC1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C22H18N6/c23-22(11-12-22)15-9-7-14(8-10-15)20-26-27-21-16-4-1-2-5-17(16)25-19-18(28(20)21)6-3-13-24-19/h1-10,13H,11-12,23H2,(H,24,25)
Affinity DataIC50: 140nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103124(US8541407, 101)
Show SMILES O=S(=O)(NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccccc1
Show InChI InChI=1S/C26H20N6O2S/c33-35(34,20-7-2-1-3-8-20)28-17-18-12-14-19(15-13-18)25-30-31-26-21-9-4-5-10-22(21)29-24-23(32(25)26)11-6-16-27-24/h1-16,28H,17H2,(H,27,29)
Affinity DataIC50: 140nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103137(US8541407, 114)
Show SMILES COc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H22N6O3S/c1-36-20-6-4-7-21(16-20)37(34,35)29-17-18-11-13-19(14-12-18)26-31-32-27-22-8-2-3-9-23(22)30-25-24(33(26)27)10-5-15-28-25/h2-16,29H,17H2,1H3,(H,28,30)
Affinity DataIC50: 140nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103061(US8541407, 38)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C27H17N7O/c1-28-19-12-10-18(11-13-19)27(35)30-20-14-8-17(9-15-20)25-32-33-26-21-5-2-3-6-22(21)31-24-23(34(25)26)7-4-16-29-24/h2-16H,(H,29,31)(H,30,35)
Affinity DataIC50: 140nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103143(US8541407, 120)
Show SMILES CC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C28H23N7O3S/c1-18(36)31-21-12-14-22(15-13-21)39(37,38)30-17-19-8-10-20(11-9-19)27-33-34-28-23-5-2-3-6-24(23)32-26-25(35(27)28)7-4-16-29-26/h2-16,30H,17H2,1H3,(H,29,32)(H,31,36)
Affinity DataIC50: 140nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103060(US8541407, 37)
Show SMILES Fc1ccc(cc1F)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H16F2N6O/c27-19-12-9-16(14-20(19)28)26(35)30-17-10-7-15(8-11-17)24-32-33-25-18-4-1-2-5-21(18)31-23-22(34(24)25)6-3-13-29-23/h1-14H,(H,29,31)(H,30,35)
Affinity DataIC50: 150nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103226(US8541407, 203)
Show SMILES Clc1ccc2nc(CCNCc3ccc(cc3)-c3nnc4-c5ccccc5Nc5ncccc5-n34)[nH]c2c1
Show InChI InChI=1S/C29H23ClN8/c30-20-11-12-23-24(16-20)34-26(33-23)13-15-31-17-18-7-9-19(10-8-18)28-36-37-29-21-4-1-2-5-22(21)35-27-25(38(28)29)6-3-14-32-27/h1-12,14,16,31H,13,15,17H2,(H,32,35)(H,33,34)
Affinity DataIC50: 150nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103139(US8541407, 116)
Show SMILES Clc1cccc(c1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H19ClN6O2S/c27-19-5-3-6-20(15-19)36(34,35)29-16-17-10-12-18(13-11-17)25-31-32-26-21-7-1-2-8-22(21)30-24-23(33(25)26)9-4-14-28-24/h1-15,29H,16H2,(H,28,30)
Affinity DataIC50: 150nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103050(US8541407, 27)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H20N6O2/c1-35-20-7-4-6-18(16-20)27(34)29-19-13-11-17(12-14-19)25-31-32-26-21-8-2-3-9-22(21)30-24-23(33(25)26)10-5-15-28-24/h2-16H,1H3,(H,28,30)(H,29,34)
Affinity DataIC50: 160nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103054(US8541407, 31)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H20N6O2/c1-35-20-14-10-18(11-15-20)27(34)29-19-12-8-17(9-13-19)25-31-32-26-21-5-2-3-6-22(21)30-24-23(33(25)26)7-4-16-28-24/h2-16H,1H3,(H,28,30)(H,29,34)
Affinity DataIC50: 160nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103078(US8541407, 55)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1cnc2ccccc2n1
Show InChI InChI=1S/C28H18N8O/c37-28(23-16-30-21-8-3-4-9-22(21)32-23)31-18-13-11-17(12-14-18)26-34-35-27-19-6-1-2-7-20(19)33-25-24(36(26)27)10-5-15-29-25/h1-16H,(H,29,33)(H,31,37)
Affinity DataIC50: 160nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103154(US8541407, 131)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccncc1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C32H28N10/c1-2-5-26-25(4-1)32-40-39-31(42(32)27-6-3-15-34-30(27)35-26)24-9-7-21(8-10-24)20-41-18-13-23(14-19-41)29-36-28(37-38-29)22-11-16-33-17-12-22/h1-12,15-17,23H,13-14,18-20H2,(H,34,35)(H,36,37,38)
Affinity DataIC50: 170nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103135(US8541407, 112)
Show SMILES Fc1ccccc1S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H19FN6O2S/c27-20-7-2-4-10-23(20)36(34,35)29-16-17-11-13-18(14-12-17)25-31-32-26-19-6-1-3-8-21(19)30-24-22(33(25)26)9-5-15-28-24/h1-15,29H,16H2,(H,28,30)
Affinity DataIC50: 170nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103122(US8541407, 99)
Show SMILES O=C(NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccccc1
Show InChI InChI=1S/C27H20N6O/c34-27(20-7-2-1-3-8-20)29-17-18-12-14-19(15-13-18)25-31-32-26-21-9-4-5-10-22(21)30-24-23(33(25)26)11-6-16-28-24/h1-16H,17H2,(H,28,30)(H,29,34)
Affinity DataIC50: 200nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103119(US8541407, 96)
Show SMILES O=C(NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1cccnc1
Show InChI InChI=1S/C26H19N7O/c34-26(19-5-3-13-27-16-19)29-15-17-9-11-18(12-10-17)24-31-32-25-20-6-1-2-7-21(20)30-23-22(33(24)25)8-4-14-28-23/h1-14,16H,15H2,(H,28,30)(H,29,34)
Affinity DataIC50: 200nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103225(US8541407, 202)
Show SMILES Fc1ccc2c(CCNCc3ccc(cc3)-c3nnc4-c5ccccc5Nc5ncccc5-n34)c[nH]c2c1
Show InChI InChI=1S/C30H24FN7/c31-22-11-12-23-21(18-34-26(23)16-22)13-15-32-17-19-7-9-20(10-8-19)29-36-37-30-24-4-1-2-5-25(24)35-28-27(38(29)30)6-3-14-33-28/h1-12,14,16,18,32,34H,13,15,17H2,(H,33,35)
Affinity DataIC50: 210nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103128(US8541407, 105)
Show SMILES O=S(=O)(NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1cccnc1
Show InChI InChI=1S/C25H19N7O2S/c33-35(34,19-5-3-13-26-16-19)28-15-17-9-11-18(12-10-17)24-30-31-25-20-6-1-2-7-21(20)29-23-22(32(24)25)8-4-14-27-23/h1-14,16,28H,15H2,(H,27,29)
Affinity DataIC50: 220nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103142(US8541407, 119)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C26H19ClN6O2S/c27-19-11-13-20(14-12-19)36(34,35)29-16-17-7-9-18(10-8-17)25-31-32-26-21-4-1-2-5-22(21)30-24-23(33(25)26)6-3-15-28-24/h1-15,29H,16H2,(H,28,30)
Affinity DataIC50: 220nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103067(US8541407, 44)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C30H26N6O/c1-30(2,3)21-14-10-20(11-15-21)29(37)32-22-16-12-19(13-17-22)27-34-35-28-23-7-4-5-8-24(23)33-26-25(36(27)28)9-6-18-31-26/h4-18H,1-3H3,(H,31,33)(H,32,37)
Affinity DataIC50: 230nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103229(US8541407, 206)
Show SMILES Cc1cc(no1)C(=O)NC1(CCC1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C28H23N7O2/c1-17-16-22(34-37-17)27(36)31-28(13-5-14-28)19-11-9-18(10-12-19)25-32-33-26-20-6-2-3-7-21(20)30-24-23(35(25)26)8-4-15-29-24/h2-4,6-12,15-16H,5,13-14H2,1H3,(H,29,30)(H,31,36)
Affinity DataIC50: 240nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103126(US8541407, 103)
Show SMILES Cn1cnc(c1)S(=O)(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C24H20N8O2S/c1-31-14-21(26-15-31)35(33,34)27-13-16-8-10-17(11-9-16)23-29-30-24-18-5-2-3-6-19(18)28-22-20(32(23)24)7-4-12-25-22/h2-12,14-15,27H,13H2,1H3,(H,25,28)
Affinity DataIC50: 240nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103072(US8541407, 49)
Show SMILES O=C(Cc1ccccc1)Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H20N6O/c34-24(17-18-7-2-1-3-8-18)29-20-14-12-19(13-15-20)26-31-32-27-21-9-4-5-10-22(21)30-25-23(33(26)27)11-6-16-28-25/h1-16H,17H2,(H,28,30)(H,29,34)
Affinity DataIC50: 240nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103152(US8541407, 129)
Show SMILES C(N1CCC(CC1)c1nnc([nH]1)-c1ccccn1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ccccc3-n12
Show InChI InChI=1S/C33H29N9/c1-2-8-26-25(7-1)33-40-39-32(42(33)29-11-4-3-9-27(29)35-26)24-14-12-22(13-15-24)21-41-19-16-23(17-20-41)30-36-31(38-37-30)28-10-5-6-18-34-28/h1-15,18,23,35H,16-17,19-21H2,(H,36,37,38)
Affinity DataIC50: 250nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103063(US8541407, 40)
Show SMILES O=C(Nc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1cccnc1
Show InChI InChI=1S/C25H17N7O/c33-25(17-5-3-13-26-15-17)28-18-11-9-16(10-12-18)23-30-31-24-19-6-1-2-7-20(19)29-22-21(32(23)24)8-4-14-27-22/h1-15H,(H,27,29)(H,28,33)
Affinity DataIC50: 260nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103218(US8541407, 195)
Show SMILES O=S(=O)(NC1(CCC1)c1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12)c1ccccc1
Show InChI InChI=1S/C29H24N6O2S/c36-38(37,22-8-2-1-3-9-22)34-29(17-7-18-29)21-15-13-20(14-16-21)27-32-33-28-23-10-4-5-11-24(23)31-26-25(35(27)28)12-6-19-30-26/h1-6,8-16,19,34H,7,17-18H2,(H,30,31)
Affinity DataIC50: 280nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103118(US8541407, 95)
Show SMILES Fc1ccc(cc1)C(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H19FN6O/c28-20-13-11-19(12-14-20)27(35)30-16-17-7-9-18(10-8-17)25-32-33-26-21-4-1-2-5-22(21)31-24-23(34(25)26)6-3-15-29-24/h1-15H,16H2,(H,29,31)(H,30,35)
Affinity DataIC50: 300nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103144(US8541407, 121)
Show SMILES Fc1ccccc1NC(=O)NCc1ccc(cc1)-c1nnc2-c3ccccc3Nc3ncccc3-n12
Show InChI InChI=1S/C27H20FN7O/c28-20-7-2-4-9-22(20)32-27(36)30-16-17-11-13-18(14-12-17)25-33-34-26-19-6-1-3-8-21(19)31-24-23(35(25)26)10-5-15-29-24/h1-15H,16H2,(H,29,31)(H2,30,32,36)
Affinity DataIC50: 310nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
TargetRAC-alpha serine/threonine-protein kinase(Homo sapiens (Human))
ArQule Inc

US Patent
LigandPNGBDBM103188(US8541407, 165)
Show SMILES Fc1ccc(NC(=O)NC2CCN(Cc3ccc(cc3)-c3nnc4-c5ccccc5Nc5ncccc5-n34)CC2)cc1
Show InChI InChI=1S/C32H29FN8O/c33-23-11-13-24(14-12-23)35-32(42)36-25-15-18-40(19-16-25)20-21-7-9-22(10-8-21)30-38-39-31-26-4-1-2-5-27(26)37-29-28(41(30)31)6-3-17-34-29/h1-14,17,25H,15-16,18-20H2,(H,34,37)(H2,35,36,42)
Affinity DataIC50: 330nMAssay Description:Biochemical assay using Akt AlphaScreen (Amplified Luminescent Proximity Homogeneous Assay) technology.More data for this Ligand-Target Pair
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