Compile Data Set for Download or QSAR

Found 243 hits Enz. Inhib. hit(s) with all data for entry = 658   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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))	BDBM224332 (US10080750, Compound 9 | US9321760, 9 | 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	5.70	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))	BDBM224324 (US10080750, Compound 1 | US9321760, 1 | US9662330,...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1Br)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H20BrF3N6/c18-14-15(23)24-10-25-16(14)27-7-5-26(6-8-27)13(9-22)11-1-3-12(4-2-11)17(19,20)21/h1-4,10,13H,5-9,22H2,(H2,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.80	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))	BDBM224360 (US10080750, Compound 37 | US9321760, 37 | US966233...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cc[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	5.80	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))	BDBM286058 (US10080750, Compound 249 | US9662330, Compound 249) Show SMILES Nc1ncnc(N2CC[C@](N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(F)cc1 |r| 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)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	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))	BDBM224365 (US10080750, Compound 42 | US9321760, 42 | US966233...) Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)[C@@H](CN)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C21H25F3N8/c1-30-12-15(11-29-30)18-19(26)27-13-28-20(18)32-8-6-31(7-9-32)17(10-25)14-2-4-16(5-3-14)21(22,23)24/h2-5,11-13,17H,6-10,25H2,1H3,(H2,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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))	BDBM224479 (US10080750, Compound 157 | US9321760, 157 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H23Cl2FN6/c23-17-6-3-15(11-18(17)24)19(12-26)30-7-9-31(10-8-30)22-20(21(27)28-13-29-22)14-1-4-16(25)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	6	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))	BDBM224509 (US10080750, Compound 187 | US9321760, 187 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1cn[nH]c1)c1ccc(Cl)c(F)c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.10	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))	BDBM224329 (US10080750, Compound 6 | US9321760, 6 | US9662330,...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C22H25FN6/c23-18-8-6-17(7-9-18)20-21(25)26-15-27-22(20)29-12-10-28(11-13-29)19(14-24)16-4-2-1-3-5-16/h1-9,15,19H,10-14,24H2,(H2,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	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))	BDBM224336 (US10080750, Compound 13 | US9321760, 13 | US966233...) Show SMILES Nc1ncnc(N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H21F4N5/c23-18-7-3-16(4-8-18)19-20(27)28-14-29-21(19)31-11-9-30(10-12-31)13-15-1-5-17(6-2-15)22(24,25)26/h1-8,14H,9-13H2,(H2,27,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.20	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))	BDBM224496 (US10080750, Compound 174 | US9321760, 174 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(Cl)nc1 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)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	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))	BDBM224524 (US10080750, Compound 202 | US9321760, 202 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F5N6O/c24-15-5-6-16(17(25)9-15)21(35)31-10-22(30)7-8-34(11-22)20-18(19(29)32-12-33-20)13-1-3-14(4-2-13)23(26,27)28/h1-6,9,12H,7-8,10-11,30H2,(H,31,35)(H2,29,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	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))	BDBM224523 (US10080750, Compound 201 | US9321760, 201 | US9662...) Show SMILES COc1ccc(cn1)-c1c(N)ncnc1N1CCC(N)(CNC(=O)c2ccc(F)cc2F)C1 Show InChI InChI=1S/C22H23F2N7O2/c1-33-17-5-2-13(9-27-17)18-19(25)29-12-30-20(18)31-7-6-22(26,11-31)10-28-21(32)15-4-3-14(23)8-16(15)24/h2-5,8-9,12H,6-7,10-11,26H2,1H3,(H,28,32)(H2,25,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	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))	BDBM224516 (US10080750, Compound 194 | US9321760, 194 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C22H23F4N7/c23-16-4-1-14(2-5-16)19-20(28)30-13-31-21(19)33-9-7-32(8-10-33)17(11-27)15-3-6-18(29-12-15)22(24,25)26/h1-6,12-13,17H,7-11,27H2,(H2,28,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.80	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))	BDBM224521 (US10080750, Compound 199 | US9321760, 199 | US9662...) Show SMILES Nc1ncnc(N2CCC(N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(cc1)C#N Show InChI InChI=1S/C23H21F2N7O/c24-16-5-6-17(18(25)9-16)22(33)29-11-23(28)7-8-32(12-23)21-19(20(27)30-13-31-21)15-3-1-14(10-26)2-4-15/h1-6,9,13H,7-8,11-12,28H2,(H,29,33)(H2,27,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM224475 (US10080750, Compound 153 | US9321760, 153 | US9662...) Show SMILES NCC(N1CCN(CC1)c1ncnc(N)c1-c1ccc(F)cc1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H24F4N6/c24-18-6-4-15(5-7-18)20-21(29)30-14-31-22(20)33-10-8-32(9-11-33)19(13-28)16-2-1-3-17(12-16)23(25,26)27/h1-7,12,14,19H,8-11,13,28H2,(H2,29,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM224468 (US10080750, Compound 146 | US9321760, 146 | US9662...) Show SMILES Nc1ncnc(N2CCC(CC2)C(OCCN2CCCC2)c2ccc(F)cc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C28H33F2N5O/c29-23-7-3-20(4-8-23)25-27(31)32-19-33-28(25)35-15-11-22(12-16-35)26(21-5-9-24(30)10-6-21)36-18-17-34-13-1-2-14-34/h3-10,19,22,26H,1-2,11-18H2,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM224363 (US10080750, Compound 40 | US9321760, 40 | US966233...) Show SMILES Cn1cc(cn1)-c1c(N)ncnc1N1CCN(CC1)C(CN)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H25F3N8/c1-30-12-15(11-29-30)18-19(26)27-13-28-20(18)32-8-6-31(7-9-32)17(10-25)14-2-4-16(5-3-14)21(22,23)24/h2-5,11-13,17H,6-10,25H2,1H3,(H2,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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))	BDBM224346 (US10080750, Compound 23 | US9321760, 23 | US966233...) Show SMILES COC(=O)c1ccc(cc1)-c1c(N)ncnc1N1CCN(CC1)C(CN(C)C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C27H31F3N6O2/c1-34(2)16-22(18-8-10-21(11-9-18)27(28,29)30)35-12-14-36(15-13-35)25-23(24(31)32-17-33-25)19-4-6-20(7-5-19)26(37)38-3/h4-11,17,22H,12-16H2,1-3H3,(H2,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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

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