Compile Data Set for Download or QSAR

Found 358 hits Enz. Inhib. hit(s) with Target = 'Ribosomal protein S6 kinase beta-1 [T412E]'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224498 (US10080750, Compound 176 | US9321760, 176 | US9662...) Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224487 (US10080750, Compound 165 | US9321760, 165 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(F)c1 Show InChI InChI=1S/C22H23ClF2N6/c23-17-6-3-15(11-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364981 (6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...) Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl |r| Show InChI InChI=1S/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364971 (4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...) Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364970 (4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...) Show SMILES Nc1ncnc(N2CC[C@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N |r| Show InChI InChI=1S/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224485 (US10080750, Compound 163 | US9321760, 163 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H24ClFN6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-13,25H2,(H2,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224508 (US10080750, Compound 186 | US9321760, 186 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(OC(F)(F)F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224340 (US10080750, Compound 17 | US9321760, 17 | US966233...) Show SMILES CN(C)C[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224469 (US10080750, Compound 147 | US9321760, 147 | US9662...) Show SMILES CN(C)CCOC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C26H31F2N5O/c1-32(2)15-16-34-24(19-5-9-22(28)10-6-19)20-11-13-33(14-12-20)26-23(25(29)30-17-31-26)18-3-7-21(27)8-4-18/h3-10,17,20,24H,11-16H2,1-2H3,(H2,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224325 (US10080750, Compound 2 | US9321760, 2 | US9662330,...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224460 (US10080750, Compound 138 | US9321760, 138 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(Cl)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22ClFN4O/c23-17-5-1-15(2-6-17)20(29)16-9-11-28(12-10-16)22-19(21(25)26-13-27-22)14-3-7-18(24)8-4-14/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224326 (US10080750, Compound 3 | US9321760, 3 | US9662330,...) Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)/t19-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224497 (US10080750, Compound 175 | US9321760, 175 | US9662...) Show SMILES NC[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 |r| Show InChI InChI=1S/C21H23ClFN7/c22-18-6-3-15(12-26-18)17(11-24)29-7-9-30(10-8-29)21-19(20(25)27-13-28-21)14-1-4-16(23)5-2-14/h1-6,12-13,17H,7-11,24H2,(H2,25,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224526 (US10080750, Compound 204 | US9321760, 204 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1cccc(F)c1 Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-2-13(8-14)18-19(26)29-12-30-20(18)31-7-6-22(27,11-31)10-28-21(32)16-5-4-15(24)9-17(16)25/h1-5,8-9,12H,6-7,10-11,27H2,(H,28,32)(H2,26,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224330 (US10080750, Compound 7 | US9321760, 7 | US9662330,...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224376 (US10080750, Compound 53 | US9321760, 53 | US966233...) Show SMILES NC[C@@H](C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5/c25-19-7-3-17(4-8-19)21-22(30)31-14-32-23(21)33-11-9-16(10-12-33)20(13-29)15-1-5-18(6-2-15)24(26,27)28/h1-8,14,16,20H,9-13,29H2,(H2,30,31,32)/t20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224375 (US10080750, Compound 52 | US9321760, 52 | US966233...) Show SMILES NCC(C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C24H25F4N5/c25-19-7-3-17(4-8-19)21-22(30)31-14-32-23(21)33-11-9-16(10-12-33)20(13-29)15-1-5-18(6-2-15)24(26,27)28/h1-8,14,16,20H,9-13,29H2,(H2,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224517 (US10080750, Compound 195 | US9321760, 195 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1Br Show InChI InChI=1S/C16H17BrF2N6O/c17-12-13(20)23-8-24-14(12)25-4-3-16(21,7-25)6-22-15(26)10-2-1-9(18)5-11(10)19/h1-2,5,8H,3-4,6-7,21H2,(H,22,26)(H2,20,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224505 (US10080750, Compound 183 | US9321760, 183 | US9662...) Show SMILES COc1ccc(cn1)C(CN)N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H26FN7O/c1-31-19-7-4-16(13-26-19)18(12-24)29-8-10-30(11-9-29)22-20(21(25)27-14-28-22)15-2-5-17(23)6-3-15/h2-7,13-14,18H,8-12,24H2,1H3,(H2,25,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224331 (US10080750, Compound 8 | US9321760, 8 | US9662330,...) Show SMILES NC[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224348 (US10080750, Compound 25 | US9321760, 25 | US966233...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCC1)c1ccc(cc1)C(F)(F)F |t:18| Show InChI InChI=1S/C22H27F3N6/c23-22(24,25)17-7-5-15(6-8-17)18(13-26)30-9-11-31(12-10-30)21-19(16-3-1-2-4-16)20(27)28-14-29-21/h3,5-8,14,18H,1-2,4,9-13,26H2,(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224483 (US10080750, Compound 161 | US9321760, 161 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C22H23ClF2N6/c23-17-11-15(3-6-18(17)25)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(24)5-2-14/h1-6,11,13,19H,7-10,12,26H2,(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224491 (US10080750, Compound 169 | US9321760, 169 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cccc(F)c1 Show InChI InChI=1S/C22H24F2N6/c23-17-6-4-15(5-7-17)20-21(26)27-14-28-22(20)30-10-8-29(9-11-30)19(13-25)16-2-1-3-18(24)12-16/h1-7,12,14,19H,8-11,13,25H2,(H2,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224350 (US10080750, Compound 27 | US9321760, 27 | US966233...) Show SMILES Nc1ncnc(N2CCN(CC2)C(CN2CCC2)c2ccc(cc2)C(F)(F)F)c1-c1ccc(F)cc1 Show InChI InChI=1S/C26H28F4N6/c27-21-8-4-19(5-9-21)23-24(31)32-17-33-25(23)36-14-12-35(13-15-36)22(16-34-10-1-11-34)18-2-6-20(7-3-18)26(28,29)30/h2-9,17,22H,1,10-16H2,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224481 (US10080750, Compound 159 | US9321760, 159 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C22H24F2N6/c23-17-5-1-15(2-6-17)19(13-25)29-9-11-30(12-10-29)22-20(21(26)27-14-28-22)16-3-7-18(24)8-4-16/h1-8,14,19H,9-13,25H2,(H2,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.40	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224377 (US10080750, Compound 54 | US9321760, 54 | US966233...) Show SMILES NC[C@H](C1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F4N5/c25-19-7-3-17(4-8-19)21-22(30)31-14-32-23(21)33-11-9-16(10-12-33)20(13-29)15-1-5-18(6-2-15)24(26,27)28/h1-8,14,16,20H,9-13,29H2,(H2,30,31,32)/t20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224327 (US10080750, Compound 4 | US9321760, 4 | US9662330,...) Show SMILES NC[C@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C23H24F4N6/c24-18-7-3-16(4-8-18)20-21(29)30-14-31-22(20)33-11-9-32(10-12-33)19(13-28)15-1-5-17(6-2-15)23(25,26)27/h1-8,14,19H,9-13,28H2,(H2,29,30,31)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224462 (US10080750, Compound 140 | US9321760, 140 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(O)c2ccc(F)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H22F2N4O/c23-17-5-1-14(2-6-17)19-21(25)26-13-27-22(19)28-11-9-16(10-12-28)20(29)15-3-7-18(24)8-4-15/h1-8,13,16,20,29H,9-12H2,(H2,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224380 (US10080750, Compound 57 | US9321760, 57 | US966233...) Show SMILES NC[C@H](C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224520 (US10080750, Compound 198 | US9321760, 198 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H21F3N6O/c23-14-3-1-13(2-4-14)18-19(26)29-12-30-20(18)31-8-7-22(27,11-31)10-28-21(32)16-6-5-15(24)9-17(16)25/h1-6,9,12H,7-8,10-11,27H2,(H,28,32)(H2,26,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224339 (US10080750, Compound 16 | US9321760, 16 | US966233...) Show SMILES CN(C)C[C@@H](N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)/t21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224338 (US10080750, Compound 15 | US9321760, 15 | US966233...) Show SMILES CN(C)CC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C25H28F4N6/c1-33(2)15-21(17-3-7-19(8-4-17)25(27,28)29)34-11-13-35(14-12-34)24-22(23(30)31-16-32-24)18-5-9-20(26)10-6-18/h3-10,16,21H,11-15H2,1-2H3,(H2,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224378 (US10080750, Compound 55 | US9321760, 55 | US966233...) Show SMILES NCC(C1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(cc1)C(F)(F)F Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224347 (US10080750, Compound 24 | US9321760, 24 | US966233...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1C1=CCCCC1)c1ccc(cc1)C(F)(F)F |t:18| Show InChI InChI=1S/C23H29F3N6/c24-23(25,26)18-8-6-16(7-9-18)19(14-27)31-10-12-32(13-11-31)22-20(21(28)29-15-30-22)17-4-2-1-3-5-17/h4,6-9,15,19H,1-3,5,10-14,27H2,(H2,28,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM224525 (US10080750, Compound 203 | US9321760, 203 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccccc1 Show InChI InChI=1S/C22H22F2N6O/c23-15-6-7-16(17(24)10-15)21(31)27-11-22(26)8-9-30(12-22)20-18(19(25)28-13-29-20)14-4-2-1-3-5-14/h1-7,10,13H,8-9,11-12,26H2,(H,27,31)(H2,25,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.5	n/a
Merck Patent GmbH US Patent					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				US Patent US10080750 (2018) BindingDB Entry DOI: 10.7270/Q2WS8W9F
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364973 (4-amino-6-[(3S,4R)-4-[1-[2-(azetidin-1-yl)ethyl]-4...) Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364974 (4-Amino-6-{3,4-cis-4-[1-(2-azetidin-1-yl-ethyl)-4-...) Show SMILES C[C@H]1CN(CC[C@H]1c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F)c1ncnc(N)c1C#N |r| Show InChI InChI=1S/C26H28F4N8/c1-16-13-37(24-19(12-31)23(32)33-15-34-24)8-5-18(16)25-35-22(14-38(25)10-9-36-6-2-7-36)17-3-4-21(27)20(11-17)26(28,29)30/h3-4,11,14-16,18H,2,5-10,13H2,1H3,(H2,32,33,34)/t16-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364976 (4-amino-6-{3,4-trans-4-[1-(2-azetidin-1-yl-ethyl)-...) Show SMILES Nc1ncnc(N2CC[C@@H]([C@@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1C#N |r| Show InChI InChI=1S/C25H25F5N8/c26-19-3-2-15(10-18(19)25(28,29)30)21-13-38(9-8-36-5-1-6-36)24(35-21)16-4-7-37(12-20(16)27)23-17(11-31)22(32)33-14-34-23/h2-3,10,13-14,16,20H,1,4-9,12H2,(H2,32,33,34)/t16-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364978 (4-Amino-6-{3,4-trans-4-[1-(2-azetidin-1-yl-ethyl)-...) Show SMILES NC(=O)c1c(N)ncnc1N1CC[C@H]([C@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C25H27F5N8O/c26-17-3-2-14(10-16(17)25(28,29)30)19-12-38(9-8-36-5-1-6-36)23(35-19)15-4-7-37(11-18(15)27)24-20(22(32)39)21(31)33-13-34-24/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,32,39)(H2,31,33,34)/t15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364979 (4-amino-6-{3,4-cis-4-[1-(2-dimethylaminoethyl)-4-(...) Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N)-c1ccc(F)c(C)c1 |r| Show InChI InChI=1S/C24H28F2N8/c1-15-10-16(4-5-19(15)25)21-13-34(9-8-32(2)3)24(31-21)17-6-7-33(12-20(17)26)23-18(11-27)22(28)29-14-30-23/h4-5,10,13-14,17,20H,6-9,12H2,1-3H3,(H2,28,29,30)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364982 (6-{3,4-trans-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-flu...) Show SMILES Nc1ncnc(N2CC[C@H]([C@H](F)C2)c2nc(cn2CCN2CCC2)-c2ccc(F)c(c2)C(F)(F)F)c1Cl |r| Show InChI InChI=1S/C24H25ClF5N7/c25-20-21(31)32-13-33-23(20)36-7-4-15(18(27)11-36)22-34-19(12-37(22)9-8-35-5-1-6-35)14-2-3-17(26)16(10-14)24(28,29)30/h2-3,10,12-13,15,18H,1,4-9,11H2,(H2,31,32,33)/t15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364983 (5-chloro-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4...) Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1Cl)-c1ccc(F)c(C)c1 |r| Show InChI InChI=1S/C23H28ClF2N7/c1-14-10-15(4-5-17(14)25)19-12-33(9-8-31(2)3)22(30-19)16-6-7-32(11-18(16)26)23-20(24)21(27)28-13-29-23/h4-5,10,12-13,16,18H,6-9,11H2,1-3H3,(H2,27,28,29)/t16-,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364985 (6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...) Show SMILES CCc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H30F5N7/c1-2-17-23(32)33-15-34-24(17)37-9-6-18(21(28)13-37)25-35-22(14-38(25)11-10-36-7-3-8-36)16-4-5-20(27)19(12-16)26(29,30)31/h4-5,12,14-15,18,21H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t18-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364987 (4-Amino-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4-...) Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N)-c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H25F5N8/c1-35(2)7-8-37-12-20(14-3-4-18(25)17(9-14)24(27,28)29)34-23(37)15-5-6-36(11-19(15)26)22-16(10-30)21(31)32-13-33-22/h3-4,9,12-13,15,19H,5-8,11H2,1-2H3,(H2,31,32,33)/t15-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364988 (4-Amino-6-{3,4-cis-4-[1-(2-dimethylamino-ethyl)-4-...) Show SMILES CN(C)CCn1cc(nc1[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364989 (6-{3,4-cis-4-[1-(2-Azetidin-1-yl-ethyl)-4-(4-fluor...) Show SMILES CCOc1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN1CCC1)-c1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C26H30F5N7O/c1-2-39-22-23(32)33-15-34-25(22)37-9-6-17(20(28)13-37)24-35-21(14-38(24)11-10-36-7-3-8-36)16-4-5-19(27)18(12-16)26(29,30)31/h4-5,12,14-15,17,20H,2-3,6-11,13H2,1H3,(H2,32,33,34)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM364993 (6-{cis-4-[1-(2-Dimethylamino-ethyl)-4-(4-fluoro-3-...) Show SMILES CC(C)c1c(N)ncnc1N1CC[C@H]([C@@H](F)C1)c1nc(cn1CCN(C)C)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C26H32F5N7/c1-15(2)22-23(32)33-14-34-25(22)37-8-7-17(20(28)12-37)24-35-21(13-38(24)10-9-36(3)4)16-5-6-19(27)18(11-16)26(29,30)31/h5-6,11,13-15,17,20H,7-10,12H2,1-4H3,(H2,32,33,34)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM365002 (4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...) Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C#N Show InChI InChI=1S/C25H28F2N8/c1-16-11-17(3-4-20(16)26)22-14-35(10-9-33-6-2-7-33)25(32-22)18-5-8-34(13-21(18)27)24-19(12-28)23(29)30-15-31-24/h3-4,11,14-15,18,21H,2,5-10,13H2,1H3,(H2,29,30,31)/t18-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM365003 (4-Amino-6-{cis-4-[1-(2-azetidin-1-yl-ethyl)-4-(4-f...) Show SMILES Cc1cc(ccc1F)-c1cn(CCN2CCC2)c(n1)[C@@H]1CCN(C[C@@H]1F)c1ncnc(N)c1C(N)=O Show InChI InChI=1S/C25H30F2N8O/c1-15-11-16(3-4-18(15)26)20-13-35(10-9-33-6-2-7-33)24(32-20)17-5-8-34(12-19(17)27)25-21(23(29)36)22(28)30-14-31-25/h3-4,11,13-14,17,19H,2,5-10,12H2,1H3,(H2,29,36)(H2,28,30,31)/t17-,19+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM365004 (4-Amino-6-{(3S,4R)-4-[1-(2-dimethylamino-ethyl)-4-...) Show SMILES CN(C)CCn1cc(nc1[C@H]1CCN(C[C@H]1F)c1ncnc(N)c1C(N)=O)-c1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C24H27F5N8O/c1-35(2)7-8-37-11-18(13-3-4-16(25)15(9-13)24(27,28)29)34-22(37)14-5-6-36(10-17(14)26)23-19(21(31)38)20(30)32-12-33-23/h3-4,9,11-12,14,17H,5-8,10H2,1-2H3,(H2,31,38)(H2,30,32,33)/t14-,17+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 50: 3651-60 (2007) BindingDB Entry DOI: 10.7270/Q2SJ1NXM
					More data for this Ligand-Target Pair

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