Compile Data Set for Download or QSAR

Found 4361 hits of ic50 for UniProtKB: P31749   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50170284 (GSK2141795 | GSK2141795C | Uprosertib) Show SMILES Cn1ncc(Cl)c1-c1cc(oc1Cl)C(=O)N[C@H](CN)Cc1ccc(F)c(F)c1 |r,wD:16.18,(2.37,-.54,;3.52,.49,;3.36,2.02,;4.77,2.65,;5.8,1.51,;7.33,1.67,;5.03,.17,;5.65,-1.23,;7.16,-1.55,;7.32,-3.09,;5.91,-3.71,;4.88,-2.57,;3.35,-2.73,;8.65,-3.86,;9.99,-3.09,;8.65,-5.4,;9.99,-6.17,;11.32,-5.4,;12.65,-6.17,;9.99,-7.71,;11.32,-8.48,;12.65,-7.71,;13.99,-8.48,;13.99,-10.02,;15.32,-10.79,;12.65,-10.79,;12.65,-12.33,;11.32,-10.02,)| Show InChI InChI=1S/C18H16Cl2F2N4O2/c1-26-16(12(19)8-24-26)11-6-15(28-17(11)20)18(27)25-10(7-23)4-9-2-3-13(21)14(22)5-9/h2-3,5-6,8,10H,4,7,23H2,1H3,(H,25,27)/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	0.0660	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of choline acetyltransferase (ChAT) activity				Citation and Details
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50502477 (ASB-183 | ASB183 | Afuresertib | GSK-2110183C | GS...) Show SMILES [H][C@@](CN)(Cc1cccc(F)c1)NC(=O)c1cc(c(Cl)s1)-c1c(Cl)cnn1C |r,wU:1.1,wD:1.0,(11.52,-5.94,;10.83,-4.68,;10.06,-6.01,;10.83,-7.35,;12.17,-3.88,;13.49,-4.64,;13.48,-6.2,;14.82,-6.95,;16.15,-6.19,;16.19,-4.64,;17.46,-3.84,;14.79,-3.91,;9.41,-3.84,;8.08,-4.6,;8.11,-6.13,;6.85,-3.92,;5.41,-4.51,;4.4,-3.4,;5.15,-2.04,;4.33,-.64,;6.62,-2.35,;2.85,-3.54,;1.85,-2.41,;2.36,-.88,;.42,-3.01,;.5,-4.52,;2.04,-4.83,;2.44,-6.32,)| Show InChI InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of acetylcholinesterase (AChE) activity				Citation and Details
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM182489 (US9145392, 190) Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br Show InChI InChI=1S/C24H29BrFN7/c1-16-13-18(3-4-19(16)26)20-14-33(12-11-31-7-2-8-31)23(30-20)17-5-9-32(10-6-17)24-21(25)22(27)28-15-29-24/h3-4,13-15,17H,2,5-12H2,1H3,(H2,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM182480 (US9145392, 181) Show SMILES CC(C)c1cc(ccn1)-c1cn(CCN2CCC2)c(n1)C1CCN(CC1)c1ncnc(N)c1Br Show InChI InChI=1S/C25H33BrN8/c1-17(2)20-14-19(4-7-28-20)21-15-34(13-12-32-8-3-9-32)24(31-21)18-5-10-33(11-6-18)25-22(26)23(27)29-16-30-25/h4,7,14-18H,3,5-6,8-13H2,1-2H3,(H2,27,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.150	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Akt				Eur J Med Chem 44: 4090-7 (2009) Article DOI: 10.1016/j.ejmech.2009.04.050 BindingDB Entry DOI: 10.7270/Q2GT5N74
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RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50298443 (5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin...) Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C28H24N4O3/c29-20(10-19-14-31-24-5-2-1-4-22(19)24)16-35-21-11-18(13-30-15-21)17-7-8-25-23(12-17)27(28(33)32-25)26-6-3-9-34-26/h1-9,11-15,20,27,31H,10,16,29H2,(H,32,33)/t20-,27?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Akt				Eur J Med Chem 44: 4090-7 (2009) Article DOI: 10.1016/j.ejmech.2009.04.050 BindingDB Entry DOI: 10.7270/Q2GT5N74
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM431867 (US10550114, Compound 1a) Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1 Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TECHNISCHE UNIVERSITÄT DORTMUND US Patent					Assay Description iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...				US Patent US10550114 (2020) BindingDB Entry DOI: 10.7270/Q2DV1N97
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM431867 (US10550114, Compound 1a) Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1 Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01719 BindingDB Entry DOI: 10.7270/Q2HQ43WX
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430060 (US10538528, Compound 7) Show SMILES COc1cncc(c1)-c1ccc(NCCN2CCCC2)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12 Show InChI InChI=1S/C30H38N8O2/c1-30(2)25-27(36-29(30)39)33-19-34-28(25)38-13-8-20(9-14-38)26-24(32-10-15-37-11-4-5-12-37)7-6-23(35-26)21-16-22(40-3)18-31-17-21/h6-7,16-20,32H,4-5,8-15H2,1-3H3,(H,33,34,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430062 (US10538528, Compound 9) Show SMILES CN(C)CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(Cl)nn1C Show InChI InChI=1S/C26H34ClN9O/c1-26(2)21-23(32-25(26)37)29-15-30-24(21)36-11-8-16(9-12-36)22-18(28-10-13-34(3)4)7-6-17(31-22)19-14-20(27)33-35(19)5/h6-7,14-16,28H,8-13H2,1-5H3,(H,29,30,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430029 (US10538528, Compound 5) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cnc(F)c(F)c1 Show InChI InChI=1S/C28H34F2N8O/c1-16(2)31-9-10-32-21-6-5-20(18-13-19(29)24(30)33-14-18)36-23(21)17-7-11-38(12-8-17)26-22-25(34-15-35-26)37-27(39)28(22,3)4/h5-6,13-17,31-32H,7-12H2,1-4H3,(H,34,35,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430051 (US10538528, Compound 37) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F Show InChI InChI=1S/C27H35F2N9OS/c1-26(2,3)33-11-10-30-16-6-7-17(23-36-37-24(40-23)20(28)29)34-19(16)15-8-12-38(13-9-15)22-18-21(31-14-32-22)35-25(39)27(18,4)5/h6-7,14-15,20,30,33H,8-13H2,1-5H3,(H,31,32,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430061 (US10538528, Compound 8) Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cncc(F)c3)c12 Show InChI InChI=1S/C29H35FN8O/c1-29(2)24-26(36-28(29)39)33-18-34-27(24)38-12-7-19(8-13-38)25-23(32-9-14-37-10-3-4-11-37)6-5-22(35-25)20-15-21(30)17-31-16-20/h5-6,15-19,32H,3-4,7-14H2,1-2H3,(H,33,34,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430070 (US10538528, Compound 28) Show SMILES CC(C)NCCNc1cc(F)c(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1 Show InChI InChI=1S/C28H34F2N8O/c1-16(2)32-7-8-33-21-12-20(30)23(18-11-19(29)14-31-13-18)36-24(21)17-5-9-38(10-6-17)26-22-25(34-15-35-26)37-27(39)28(22,3)4/h11-17,32-33H,5-10H2,1-4H3,(H,34,35,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430052 (US10538528, Compound 39) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F Show InChI InChI=1S/C26H33F2N9OS/c1-14(2)29-9-10-30-16-5-6-17(23-35-36-24(39-23)20(27)28)33-19(16)15-7-11-37(12-8-15)22-18-21(31-13-32-22)34-25(38)26(18,3)4/h5-6,13-15,20,29-30H,7-12H2,1-4H3,(H,31,32,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430054 (US10538528, Compound 41) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1noc(n1)C(F)F Show InChI InChI=1S/C27H35F2N9O2/c1-26(2,3)33-11-10-30-16-6-7-17(21-35-24(20(28)29)40-37-21)34-19(16)15-8-12-38(13-9-15)23-18-22(31-14-32-23)36-25(39)27(18,4)5/h6-7,14-15,20,30,33H,8-13H2,1-5H3,(H,31,32,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM182699 (US9145392, 400) Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CC1CN(C)C1)-c1ccc(F)c(C)c1 Show InChI InChI=1S/C26H34FN7/c1-4-21-24(28)29-16-30-26(21)33-9-7-19(8-10-33)25-31-23(20-5-6-22(27)17(2)11-20)15-34(25)14-18-12-32(3)13-18/h5-6,11,15-16,18-19H,4,7-10,12-14H2,1-3H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430058 (US10538528, Compound 2) Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccc(F)nc3)c12 Show InChI InChI=1S/C29H35FN8O/c1-29(2)24-26(36-28(29)39)33-18-34-27(24)38-14-9-19(10-15-38)25-22(31-11-16-37-12-3-4-13-37)7-6-21(35-25)20-5-8-23(30)32-17-20/h5-8,17-19,31H,3-4,9-16H2,1-2H3,(H,33,34,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430066 (US10538528, Compound 38) Show SMILES CN(C)CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C(F)F Show InChI InChI=1S/C25H31F2N9OS/c1-25(2)17-20(32-24(25)37)29-13-30-21(17)36-10-7-14(8-11-36)18-15(28-9-12-35(3)4)5-6-16(31-18)22-33-34-23(38-22)19(26)27/h5-6,13-14,19,28H,7-12H2,1-4H3,(H,29,30,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430063 (US10538528, Compound 10) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(nn1C)C(F)(F)F Show InChI InChI=1S/C28H36F3N9O/c1-16(2)32-10-11-33-19-7-6-18(20-14-21(28(29,30)31)38-39(20)5)36-23(19)17-8-12-40(13-9-17)25-22-24(34-15-35-25)37-26(41)27(22,3)4/h6-7,14-17,32-33H,8-13H2,1-5H3,(H,34,35,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430030 (US10538528, Compound 11) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cc(Cl)nn1C Show InChI InChI=1S/C27H36ClN9O/c1-16(2)29-10-11-30-19-7-6-18(20-14-21(28)35-36(20)5)33-23(19)17-8-12-37(13-9-17)25-22-24(31-15-32-25)34-26(38)27(22,3)4/h6-7,14-17,29-30H,8-13H2,1-5H3,(H,31,32,34,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430064 (US10538528, Compound 12) Show SMILES CCNCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1 Show InChI InChI=1S/C27H33FN8O/c1-4-29-9-10-31-21-6-5-20(18-13-19(28)15-30-14-18)34-23(21)17-7-11-36(12-8-17)25-22-24(32-16-33-25)35-26(37)27(22,2)3/h5-6,13-17,29,31H,4,7-12H2,1-3H3,(H,32,33,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430053 (US10538528, Compound 40) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(s1)C1CC1 Show InChI InChI=1S/C29H39N9OS/c1-28(2,3)33-13-12-30-19-8-9-20(26-37-36-25(40-26)18-6-7-18)34-22(19)17-10-14-38(15-11-17)24-21-23(31-16-32-24)35-27(39)29(21,4)5/h8-9,16-18,30,33H,6-7,10-15H2,1-5H3,(H,31,32,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM9048 (US8536193, 10-5) Show SMILES N[C@]1(C[C@](O)(C1)C1CC1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:3.6,1.0,wD:3.3,(13.13,-7.57,;11.8,-6.8,;10.71,-5.71,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.03,-3.29,;9.69,-2.52,;11.03,-1.75,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)| Show InChI InChI=1S/C29H25F2N5O/c30-26(31)27-35-34-24-13-12-22-23(36(24)27)14-21(17-4-2-1-3-5-17)25(33-22)18-6-8-19(9-7-18)28(32)15-29(37,16-28)20-10-11-20/h1-9,12-14,20,26,37H,10-11,15-16,32H2/t28-,29-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; MSD K.K. US Patent					Assay Description Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...				US Patent US8536193 (2013) BindingDB Entry DOI: 10.7270/Q2NK3CP1
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16532 ((2S)-1-(1H-indol-3-yl)-3-{[5-(3-methyl-1H-pyrazolo...) Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C23H22N6O/c1-14-20-8-22(27-12-23(20)29-28-14)16-7-18(11-25-9-16)30-13-17(24)6-15-10-26-21-5-3-2-4-19(15)21/h2-5,7-12,17,26H,6,13,24H2,1H3,(H,28,29)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Akt				Eur J Med Chem 44: 4090-7 (2009) Article DOI: 10.1016/j.ejmech.2009.04.050 BindingDB Entry DOI: 10.7270/Q2GT5N74
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 | US20230286979, Isomer 2 of Example...) Show SMILES [H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
CELGENE QUANTICEL RESEARCH, INC. US Patent									US Patent US10815234 (2020) BindingDB Entry DOI: 10.7270/Q2RV0STB
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 | US20230286979, Isomer 2 of Example...) Show SMILES [H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2W95F93
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 | US20230286979, Isomer 2 of Example...) Show SMILES [H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM102310 (US8536193, 10-4) Show SMILES C[C@@]1(O)C[C@@](N)(C1)c1ccc(cc1)-c1nc2ccc3nnc(C(F)F)n3c2cc1-c1ccccc1 |r,wU:1.0,4.4,wD:1.1,(11.03,-3.29,;11.8,-4.62,;12.57,-3.29,;12.89,-5.71,;11.8,-6.8,;13.13,-7.57,;10.71,-5.71,;10.46,-7.57,;10.46,-9.11,;9.13,-9.88,;7.8,-9.11,;7.8,-7.57,;9.13,-6.8,;6.46,-9.88,;5.13,-9.11,;3.8,-9.88,;2.46,-9.11,;1.13,-9.88,;1.13,-11.42,;-.02,-12.45,;.61,-13.86,;2.14,-13.7,;3.23,-14.79,;2.83,-16.27,;4.72,-14.39,;2.46,-12.19,;3.8,-11.42,;5.13,-12.19,;6.46,-11.42,;7.8,-12.19,;7.8,-13.73,;9.13,-14.5,;10.46,-13.73,;10.46,-12.19,;9.13,-11.42,)| Show InChI InChI=1S/C27H23F2N5O/c1-26(35)14-27(30,15-26)18-9-7-17(8-10-18)23-19(16-5-3-2-4-6-16)13-21-20(31-23)11-12-22-32-33-25(24(28)29)34(21)22/h2-13,24,35H,14-15,30H2,1H3/t26-,27-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.5	n/a
Merck Sharp & Dohme Corp.; MSD K.K. US Patent					Assay Description Activated Akt isoforms and pleckstrin homology domain deletion constructs were assayed utilizing a GSK-derived biotinylated peptide substrate. The e...				US Patent US8536193 (2013) BindingDB Entry DOI: 10.7270/Q2NK3CP1
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430041 (US10538528, Compound 23) Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN(C)C)-c3ccsc3)c12 Show InChI InChI=1S/C25H31N7OS/c1-16-21-23(30-25(16)33)27-15-28-24(21)32-10-6-17(7-11-32)22-20(26-9-12-31(2)3)5-4-19(29-22)18-8-13-34-14-18/h4-5,8,13-17,26H,6-7,9-12H2,1-3H3,(H,27,28,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430031 (US10538528, Compound 13) Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3ccnc(F)c3)c12 Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-13-7-19(8-14-37)25-22(30-10-15-36-11-2-3-12-36)5-4-21(34-25)20-6-9-31-23(29)16-20/h4-6,9,16-19,30H,2-3,7-8,10-15H2,1H3,(H,32,33,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430059 (US10538528, Compound 6) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1sc(C)nc1C Show InChI InChI=1S/C28H38N8OS/c1-16(2)29-11-12-30-20-7-8-21(24-17(3)33-18(4)38-24)34-23(20)19-9-13-36(14-10-19)26-22-25(31-15-32-26)35-27(37)28(22,5)6/h7-8,15-16,19,29-30H,9-14H2,1-6H3,(H,31,32,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430068 (US10538528, Compound 4) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cnn(c1)C(F)F Show InChI InChI=1S/C28H37F2N9O/c1-27(2,3)34-11-10-31-20-7-6-19(18-14-35-39(15-18)26(29)30)36-22(20)17-8-12-38(13-9-17)24-21-23(32-16-33-24)37-25(40)28(21,4)5/h6-7,14-17,26,31,34H,8-13H2,1-5H3,(H,32,33,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430067 (US10538528, Compound 3) Show SMILES Cc1cc(-c2ccc(NCCN3CCCC3)c(n2)C2CCN(CC2)c2ncnc3NC(=O)C(C)(C)c23)n(C)n1 Show InChI InChI=1S/C29H39N9O/c1-19-17-23(36(4)35-19)21-7-8-22(30-11-16-37-12-5-6-13-37)25(33-21)20-9-14-38(15-10-20)27-24-26(31-18-32-27)34-28(39)29(24,2)3/h7-8,17-18,20,30H,5-6,9-16H2,1-4H3,(H,31,32,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430028 (US10538528, Compound 1) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1cncc(F)c1 Show InChI InChI=1S/C29H37FN8O/c1-28(2,3)35-11-10-32-22-7-6-21(19-14-20(30)16-31-15-19)36-24(22)18-8-12-38(13-9-18)26-23-25(33-17-34-26)37-27(39)29(23,4)5/h6-7,14-18,32,35H,8-13H2,1-5H3,(H,33,34,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM431867 (US10550114, Compound 1a) Show SMILES C=CC(=O)Nc1ccc2[nH]c(=O)n(C3CCN(Cc4ccc(cc4)-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)CC3)c2c1 Show InChI InChI=1S/C36H32N6O3/c1-2-33(43)38-26-12-13-31-32(20-26)42(36(45)40-31)27-15-18-41(19-16-27)22-23-8-10-25(11-9-23)34-28(24-6-4-3-5-7-24)21-29-30(39-34)14-17-37-35(29)44/h2-14,17,20-21,27H,1,15-16,18-19,22H2,(H,37,44)(H,38,43)(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TECHNISCHE UNIVERSITÄT DORTMUND US Patent					Assay Description iFLiK and HTRF studies were carried out as described in Z. Fang, J. R. Simard, D. Plenker, H. D. Nguyen, T. Phan, P. Wolle, S. Baumeister, D. Rauh, A...				US Patent US10550114 (2020) BindingDB Entry DOI: 10.7270/Q2DV1N97
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM187363 (US9169243, 11 | US9908875, 11) Show SMILES CNC(=O)C1CCN(CC1)c1cnc(cc1-n1cnc(c1)C1CC1)C(=O)Nc1csc(n1)-c1nncn1C1CC1 Show InChI InChI=1S/C27H30N10O2S/c1-28-25(38)17-6-8-35(9-7-17)22-11-29-19(10-21(22)36-12-20(30-14-36)16-2-3-16)26(39)32-23-13-40-27(33-23)24-34-31-15-37(24)18-4-5-18/h10-18H,2-9H2,1H3,(H,28,38)(H,32,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection. This is a competitive, time...				US Patent US9169243 (2015) BindingDB Entry DOI: 10.7270/Q2RF5ST3
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM182551 (US9145392, 252) Show SMILES CCc1c(N)ncnc1N1CCC(CC1)c1nc(cn1CCN1CCCC1)-c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C26H33ClFN7/c1-2-20-24(29)30-17-31-26(20)34-11-7-18(8-12-34)25-32-23(19-5-6-22(28)21(27)15-19)16-35(25)14-13-33-9-3-4-10-33/h5-6,15-18H,2-4,7-14H2,1H3,(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description A TTP Mosquito liquid handling instrument is used to place 125n1 of the appropriate concentration of inhibitor in 100% DMSO (for a dose response curv...				US Patent US9145392 (2015) BindingDB Entry DOI: 10.7270/Q2NZ86D2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50606310 (CHEMBL5169427 | US20230286979, Isomer 2 of Example...) Show SMILES [H][C@@]12C[C@]1([H])N(CCN2C(=O)[C@H](CNC(C)C)c1ccc(Cl)cc1)c1ncnc2NC(=O)C[C@@H](C)c12 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00527 BindingDB Entry DOI: 10.7270/Q2TX3KGT
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430057 (US10538528, Compound 44) Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nc(no3)C(F)(F)F)c12 Show InChI InChI=1S/C27H32F3N9O2/c1-26(2)19-21(35-25(26)40)32-15-33-22(19)39-12-7-16(8-13-39)20-17(31-9-14-38-10-3-4-11-38)5-6-18(34-20)23-36-24(37-41-23)27(28,29)30/h5-6,15-16,31H,3-4,7-14H2,1-2H3,(H,32,33,35,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430056 (US10538528, Compound 43) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nc(no1)C(F)(F)F Show InChI InChI=1S/C27H34F3N9O2/c1-25(2,3)34-11-10-31-16-6-7-17(22-37-23(38-41-22)27(28,29)30)35-19(16)15-8-12-39(13-9-15)21-18-20(32-14-33-21)36-24(40)26(18,4)5/h6-7,14-15,31,34H,8-13H2,1-5H3,(H,32,33,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430072 (US10538528, Compound 36) Show SMILES Cc1nnc(s1)-c1ccc(NCCN2CCCC2)c(n1)C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12 Show InChI InChI=1S/C27H35N9OS/c1-17-33-34-25(38-17)20-7-6-19(28-10-15-35-11-4-5-12-35)22(31-20)18-8-13-36(14-9-18)24-21-23(29-16-30-24)32-26(37)27(21,2)3/h6-7,16,18,28H,4-5,8-15H2,1-3H3,(H,29,30,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430047 (US10538528, Compound 32) Show SMILES CC(C)(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C27H34F3N9O2/c1-25(2,3)34-11-10-31-16-6-7-17(22-37-38-24(41-22)27(28,29)30)35-19(16)15-8-12-39(13-9-15)21-18-20(32-14-33-21)36-23(40)26(18,4)5/h6-7,14-15,31,34H,8-13H2,1-5H3,(H,32,33,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430050 (US10538528, Compound 34) Show SMILES CN(CCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F)C(C)(C)C Show InChI InChI=1S/C28H36F3N9O2/c1-26(2,3)39(6)14-11-32-17-7-8-18(23-37-38-25(42-23)28(29,30)31)35-20(17)16-9-12-40(13-10-16)22-19-21(33-15-34-22)36-24(41)27(19,4)5/h7-8,15-16,32H,9-14H2,1-6H3,(H,33,34,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430065 (US10538528, Compound 35) Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCC3CCCN3)-c3nnc(o3)C(F)(F)F)c12 Show InChI InChI=1S/C26H30F3N9O2/c1-25(2)18-20(35-23(25)39)32-13-33-21(18)38-10-7-14(8-11-38)19-16(31-12-15-4-3-9-30-15)5-6-17(34-19)22-36-37-24(40-22)26(27,28)29/h5-6,13-15,30-31H,3-4,7-12H2,1-2H3,(H,32,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430055 (US10538528, Compound 42) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1noc(n1)C(F)(F)F Show InChI InChI=1S/C26H32F3N9O2/c1-14(2)30-9-10-31-16-5-6-17(20-36-24(40-37-20)26(27,28)29)34-19(16)15-7-11-38(12-8-15)22-18-21(32-13-33-22)35-23(39)25(18,3)4/h5-6,13-15,30-31H,7-12H2,1-4H3,(H,32,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50322393 ((S)-N-((3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimi...) Show SMILES CCc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(F)cc4F)C3)c12 |r| Show InChI InChI=1S/C20H22F2N6O/c1-2-12-8-24-17-16(12)18(27-11-26-17)28-6-5-20(23,10-28)9-25-19(29)14-4-3-13(21)7-15(14)22/h3-4,7-8,11H,2,5-6,9-10,23H2,1H3,(H,25,29)(H,24,26,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of AKT1 after 90 mins by IMAP assay				J Med Chem 53: 4615-22 (2010) Article DOI: 10.1021/jm1003842 BindingDB Entry DOI: 10.7270/Q24X580C
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430037 (US10538528, Compound 19) Show SMILES CC1C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3cncc(F)c3)c12 Show InChI InChI=1S/C28H33FN8O/c1-18-24-26(35-28(18)38)32-17-33-27(24)37-11-6-19(7-12-37)25-23(31-8-13-36-9-2-3-10-36)5-4-22(34-25)20-14-21(29)16-30-15-20/h4-5,14-19,31H,2-3,6-13H2,1H3,(H,32,33,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430045 (US10538528, Compound 30) Show SMILES CC1(C)C(=O)Nc2ncnc(N3CCC(CC3)c3nc(ccc3NCCN3CCCC3)-c3nnc(o3)C(F)F)c12 Show InChI InChI=1S/C27H33F2N9O2/c1-27(2)19-22(34-26(27)39)31-15-32-23(19)38-12-7-16(8-13-38)20-17(30-9-14-37-10-3-4-11-37)5-6-18(33-20)24-35-36-25(40-24)21(28)29/h5-6,15-16,21,30H,3-4,7-14H2,1-2H3,(H,31,32,34,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM430049 (US10538528, Compound 33) Show SMILES CC(C)NCCNc1ccc(nc1C1CCN(CC1)c1ncnc2NC(=O)C(C)(C)c12)-c1nnc(o1)C(F)(F)F Show InChI InChI=1S/C26H32F3N9O2/c1-14(2)30-9-10-31-16-5-6-17(22-36-37-24(40-22)26(27,28)29)34-19(16)15-7-11-38(12-8-15)21-18-20(32-13-33-21)35-23(39)25(18,3)4/h5-6,13-15,30-31H,7-12H2,1-4H3,(H,32,33,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Taiho Pahrmaceutical Co., Ltd. US Patent					Assay Description S6K1: Inhibitory activity of the compound according to the present invention on S6K1 kinase activity in vitro was assayed using the QSS Assist FP ass...				US Patent US10538528 (2020) BindingDB Entry DOI: 10.7270/Q2MK6G95
					More data for this Ligand-Target Pair

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