Compile Data Set for Download or QSAR

Found 627 hits with Last Name = 'koerner' and Initial = 's'   

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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108434 (US8609688, 12) Show SMILES CC(=O)NC1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C34H36N8O/c1-22(43)38-25-14-19-41(20-15-25)27-6-2-5-23(21-27)29-12-13-30-33(39-29)42(32(40-30)28-7-3-18-37-31(28)35)26-10-8-24(9-11-26)34(36)16-4-17-34/h2-3,5-13,18,21,25H,4,14-17,19-20,36H2,1H3,(H2,35,37)(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108434 (US8609688, 12) Show SMILES CC(=O)NC1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C34H36N8O/c1-22(43)38-25-14-19-41(20-15-25)27-6-2-5-23(21-27)29-12-13-30-33(39-29)42(32(40-30)28-7-3-18-37-31(28)35)26-10-8-24(9-11-26)34(36)16-4-17-34/h2-3,5-13,18,21,25H,4,14-17,19-20,36H2,1H3,(H2,35,37)(H,38,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.44	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108430 (US8609688, 8) Show SMILES C[C@@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 |r| Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108430 (US8609688, 8) Show SMILES C[C@@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 |r| Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108428 (US8609688, 6) Show SMILES CC(C)(O)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C31H31N7O2/c1-30(2,40)29(39)35-21-7-3-6-19(18-21)24-13-14-25-28(36-24)38(27(37-25)23-8-4-17-34-26(23)32)22-11-9-20(10-12-22)31(33)15-5-16-31/h3-4,6-14,17-18,40H,5,15-16,33H2,1-2H3,(H2,32,34)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108428 (US8609688, 6) Show SMILES CC(C)(O)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C31H31N7O2/c1-30(2,40)29(39)35-21-7-3-6-19(18-21)24-13-14-25-28(36-24)38(27(37-25)23-8-4-17-34-26(23)32)22-11-9-20(10-12-22)31(33)15-5-16-31/h3-4,6-14,17-18,40H,5,15-16,33H2,1-2H3,(H2,32,34)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130225 (US8815854, 14) Show SMILES Nc1nccnc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1 Show InChI InChI=1S/C26H23N7/c27-23-22(29-15-16-30-23)25-32-21-12-11-20(17-5-2-1-3-6-17)31-24(21)33(25)19-9-7-18(8-10-19)26(28)13-4-14-26/h1-3,5-12,15-16H,4,13-14,28H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.69	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108426 (US8609688, 4) Show SMILES CC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C32H33N7O/c1-31(2,3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32/h4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108426 (US8609688, 4) Show SMILES CC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C32H33N7O/c1-31(2,3)30(40)36-22-8-4-7-20(19-22)25-14-15-26-29(37-25)39(28(38-26)24-9-5-18-35-27(24)33)23-12-10-21(11-13-23)32(34)16-6-17-32/h4-5,7-15,18-19H,6,16-17,34H2,1-3H3,(H2,33,35)(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108440 (US8609688, 18) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C31H31N7O2S/c32-28-25(6-2-15-34-28)29-36-27-12-11-26(21-4-1-5-24(20-21)37-16-18-41(39,40)19-17-37)35-30(27)38(29)23-9-7-22(8-10-23)31(33)13-3-14-31/h1-2,4-12,15,20H,3,13-14,16-19,33H2,(H2,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.79	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108440 (US8609688, 18) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCS(=O)(=O)CC1 Show InChI InChI=1S/C31H31N7O2S/c32-28-25(6-2-15-34-28)29-36-27-12-11-26(21-4-1-5-24(20-21)37-16-18-41(39,40)19-17-37)35-30(27)38(29)23-9-7-22(8-10-23)31(33)13-3-14-31/h1-2,4-12,15,20H,3,13-14,16-19,33H2,(H2,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.79	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108436 (US8609688, 14) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C35H36N8O/c36-31-28(6-2-17-38-31)32-40-30-14-13-29(39-33(30)43(32)26-11-9-25(10-12-26)35(37)15-3-16-35)24-4-1-5-27(22-24)41-18-20-42(21-19-41)34(44)23-7-8-23/h1-2,4-6,9-14,17,22-23H,3,7-8,15-16,18-21,37H2,(H2,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.84	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108436 (US8609688, 14) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C35H36N8O/c36-31-28(6-2-17-38-31)32-40-30-14-13-29(39-33(30)43(32)26-11-9-25(10-12-26)35(37)15-3-16-35)24-4-1-5-27(22-24)41-18-20-42(21-19-41)34(44)23-7-8-23/h1-2,4-6,9-14,17,22-23H,3,7-8,15-16,18-21,37H2,(H2,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.84	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536168 (CHEMBL4574111) Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130222 (US8815854, 11) Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)C1CC1 Show InChI InChI=1S/C29H31N5O/c30-29(13-2-14-29)22-7-9-23(10-8-22)34-27(20-5-6-20)32-26-12-11-25(31-28(26)34)21-3-1-4-24(19-21)33-15-17-35-18-16-33/h1,3-4,7-12,19-20H,2,5-6,13-18,30H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.99	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108435 (US8609688, 13) Show SMILES CCC(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C34H36N8O/c1-2-30(43)41-20-18-40(19-21-41)26-7-3-6-23(22-26)28-13-14-29-33(38-28)42(32(39-29)27-8-4-17-37-31(27)35)25-11-9-24(10-12-25)34(36)15-5-16-34/h3-4,6-14,17,22H,2,5,15-16,18-21,36H2,1H3,(H2,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.15	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108435 (US8609688, 13) Show SMILES CCC(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C34H36N8O/c1-2-30(43)41-20-18-40(19-21-41)26-7-3-6-23(22-26)28-13-14-29-33(38-28)42(32(39-29)27-8-4-17-37-31(27)35)25-11-9-24(10-12-25)34(36)15-5-16-34/h3-4,6-14,17,22H,2,5,15-16,18-21,36H2,1H3,(H2,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.15	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536169 (CHEMBL4519558) Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108429 (US8609688, 7) Show SMILES C[C@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 |r| Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.45	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108429 (US8609688, 7) Show SMILES C[C@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 |r| Show InChI InChI=1S/C31H31N7O2/c1-19(39)18-35-30(40)21-6-2-5-20(17-21)25-12-13-26-29(36-25)38(28(37-26)24-7-3-16-34-27(24)32)23-10-8-22(9-11-23)31(33)14-4-15-31/h2-3,5-13,16-17,19,39H,4,14-15,18,33H2,1H3,(H2,32,34)(H,35,40)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.45	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536170 (CHEMBL4544109) Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccnc1 Show InChI InChI=1S/C26H23N7/c27-23-20(5-2-15-30-23)24-32-22-11-10-21(17-4-1-14-29-16-17)31-25(22)33(24)19-8-6-18(7-9-19)26(28)12-3-13-26/h1-2,4-11,14-16H,3,12-13,28H2,(H2,27,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108431 (US8609688, 9) Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C35H38N8O/c1-41(2)34(44)23-15-20-42(21-16-23)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-19-38-31(28)36)26-11-9-25(10-12-26)35(37)17-5-18-35/h3-4,6-14,19,22-23H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108431 (US8609688, 9) Show SMILES CN(C)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C35H38N8O/c1-41(2)34(44)23-15-20-42(21-16-23)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-19-38-31(28)36)26-11-9-25(10-12-26)35(37)17-5-18-35/h3-4,6-14,19,22-23H,5,15-18,20-21,37H2,1-2H3,(H2,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536168 (CHEMBL4574111) Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536167 (CHEMBL4523032) Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1 Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536169 (CHEMBL4519558) Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536168 (CHEMBL4574111) Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108425 (US8609688, 3) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C31H29N7O/c32-27-24(6-2-17-34-27)28-37-26-14-13-25(20-4-1-5-22(18-20)35-30(39)19-7-8-19)36-29(26)38(28)23-11-9-21(10-12-23)31(33)15-3-16-31/h1-2,4-6,9-14,17-19H,3,7-8,15-16,33H2,(H2,32,34)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.09	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108425 (US8609688, 3) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C31H29N7O/c32-27-24(6-2-17-34-27)28-37-26-14-13-25(20-4-1-5-22(18-20)35-30(39)19-7-8-19)36-29(26)38(28)23-11-9-21(10-12-23)31(33)15-3-16-31/h1-2,4-6,9-14,17-19H,3,7-8,15-16,33H2,(H2,32,34)(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.09	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536169 (CHEMBL4519558) Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108433 (US8609688, 11) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C37H40N8O2/c38-33-30(6-2-17-40-33)34-42-32-12-11-31(41-35(32)45(34)28-9-7-27(8-10-28)37(39)15-3-16-37)26-4-1-5-29(24-26)43-18-13-25(14-19-43)36(46)44-20-22-47-23-21-44/h1-2,4-12,17,24-25H,3,13-16,18-23,39H2,(H2,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.36	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108433 (US8609688, 11) Show SMILES Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1cccc(c1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C37H40N8O2/c38-33-30(6-2-17-40-33)34-42-32-12-11-31(41-35(32)45(34)28-9-7-27(8-10-28)37(39)15-3-16-37)26-4-1-5-29(24-26)43-18-13-25(14-19-43)36(46)44-20-22-47-23-21-44/h1-2,4-12,17,24-25H,3,13-16,18-23,39H2,(H2,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.36	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108438 (US8609688, 16) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C36H40N8O/c1-35(2,3)34(45)43-21-19-42(20-22-43)27-8-4-7-24(23-27)29-14-15-30-33(40-29)44(32(41-30)28-9-5-18-39-31(28)37)26-12-10-25(11-13-26)36(38)16-6-17-36/h4-5,7-15,18,23H,6,16-17,19-22,38H2,1-3H3,(H2,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.42	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108438 (US8609688, 16) Show SMILES CC(C)(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C36H40N8O/c1-35(2,3)34(45)43-21-19-42(20-22-43)27-8-4-7-24(23-27)29-14-15-30-33(40-29)44(32(41-30)28-9-5-18-39-31(28)37)26-12-10-25(11-13-26)36(38)16-6-17-36/h4-5,7-15,18,23H,6,16-17,19-22,38H2,1-3H3,(H2,37,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.42	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130221 (US8815854, 9) Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)C1CCCCC1 Show InChI InChI=1S/C32H37N5O/c33-32(16-5-17-32)25-10-12-26(13-11-25)37-30(23-6-2-1-3-7-23)35-29-15-14-28(34-31(29)37)24-8-4-9-27(22-24)36-18-20-38-21-19-36/h4,8-15,22-23H,1-3,5-7,16-21,33H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.47	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536172 (CHEMBL4513257) Show SMILES Cl.NCc1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1N Show InChI InChI=1S/C24H20N6/c25-15-16-8-10-18(11-9-16)30-23(19-7-4-14-27-22(19)26)29-21-13-12-20(28-24(21)30)17-5-2-1-3-6-17/h1-14H,15,25H2,(H2,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108441 (US8609688, 19) Show SMILES Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C27H25N7/c28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.77	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108441 (US8609688, 19) Show SMILES Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C27H25N7/c28-24-21(8-4-17-30-24)25-32-22-13-14-23(31-19-6-2-1-3-7-19)33-26(22)34(25)20-11-9-18(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)(H,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.77	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-gamma serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536168 (CHEMBL4574111) Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT3 (1 to 479 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130249 (US8815854, 47) Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(Nc3ccccc3)nc12)-c1ccccc1 Show InChI InChI=1S/C28H25N5/c29-28(18-7-19-28)21-12-14-23(15-13-21)33-26(20-8-3-1-4-9-20)31-24-16-17-25(32-27(24)33)30-22-10-5-2-6-11-22/h1-6,8-17H,7,18-19,29H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.13	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108432 (US8609688, 10) Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C37H42N8O/c1-3-43(4-2)36(46)25-17-22-44(23-18-25)29-9-5-8-26(24-29)31-15-16-32-35(41-31)45(34(42-32)30-10-6-21-40-33(30)38)28-13-11-27(12-14-28)37(39)19-7-20-37/h5-6,8-16,21,24-25H,3-4,7,17-20,22-23,39H2,1-2H3,(H2,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.15	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108432 (US8609688, 10) Show SMILES CCN(CC)C(=O)C1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C37H42N8O/c1-3-43(4-2)36(46)25-17-22-44(23-18-25)29-9-5-8-26(24-29)31-15-16-32-35(41-31)45(34(42-32)30-10-6-21-40-33(30)38)28-13-11-27(12-14-28)37(39)19-7-20-37/h5-6,8-16,21,24-25H,3-4,7,17-20,22-23,39H2,1-2H3,(H2,38,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.15	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130241 (US8815854, 42) Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccc2nc(-c3ccccc3)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C31H29N5O/c1-35(2)30(37)23-11-6-10-22(20-23)26-16-17-27-29(33-26)36(28(34-27)21-8-4-3-5-9-21)25-14-12-24(13-15-25)31(32)18-7-19-31/h3-6,8-17,20H,7,18-19,32H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.27	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130226 (US8815854, 15) Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1ccccc1)-c1cccnc1 Show InChI InChI=1S/C27H23N5/c28-27(15-5-16-27)21-9-11-22(12-10-21)32-25(20-8-4-17-29-18-20)31-24-14-13-23(30-26(24)32)19-6-2-1-3-7-19/h1-4,6-14,17-18H,5,15-16,28H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108439 (US8609688, 17) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 |r| Show InChI InChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36)/t21-,22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.36	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108439 (US8609688, 17) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 |r| Show InChI InChI=1S/C33H35N7O/c1-21-19-39(20-22(2)41-21)26-7-3-6-23(18-26)28-13-14-29-32(37-28)40(31(38-29)27-8-4-17-36-30(27)34)25-11-9-24(10-12-25)33(35)15-5-16-33/h3-4,6-14,17-18,21-22H,5,15-16,19-20,35H2,1-2H3,(H2,34,36)/t21-,22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.36	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM130233 (US8815854, 26) Show SMILES NC1(CCC1)c1ccc(cc1)-n1c(nc2ccc(nc12)-c1cccc(c1)N1CCOCC1)-c1cccc(O)c1 Show InChI InChI=1S/C32H31N5O2/c33-32(14-3-15-32)24-8-10-25(11-9-24)37-30(23-5-2-7-27(38)21-23)35-29-13-12-28(34-31(29)37)22-4-1-6-26(20-22)36-16-18-39-19-17-36/h1-2,4-13,20-21,38H,3,14-19,33H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.42	n/a	n/a	n/a	n/a	8.0	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8815854 (2014) BindingDB Entry DOI: 10.7270/Q2J67FMR
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108427 (US8609688, 5) Show SMILES CC(=O)OC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C33H33N7O3/c1-20(41)43-32(2,3)31(42)37-23-8-4-7-21(19-23)26-14-15-27-30(38-26)40(29(39-27)25-9-5-18-36-28(25)34)24-12-10-22(11-13-24)33(35)16-6-17-33/h4-5,7-15,18-19H,6,16-17,35H2,1-3H3,(H2,34,36)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.46	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen (Amplified Luminesce...				US Patent US8962619 (2015) BindingDB Entry DOI: 10.7270/Q2W957W7
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM108427 (US8609688, 5) Show SMILES CC(=O)OC(C)(C)C(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C33H33N7O3/c1-20(41)43-32(2,3)31(42)37-23-8-4-7-21(19-23)26-14-15-27-30(38-26)40(29(39-27)25-9-5-18-36-28(25)34)24-12-10-22(11-13-24)33(35)16-6-17-33/h4-5,7-15,18-19H,6,16-17,35H2,1-3H3,(H2,34,36)(H,37,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.46	n/a	n/a	n/a	n/a	8.0	25
ArQule, Inc. US Patent					Assay Description AKT1 activity was assayed using the GSK3-derived biotinylated peptide substrate, crosstide (biotin-GRPRTSSFAEG), and AlphaScreen™ (Amplified Lum...				US Patent US8609688 (2013) BindingDB Entry DOI: 10.7270/Q2H41Q2M
					More data for this Ligand-Target Pair
RAC-beta serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536167 (CHEMBL4523032) Show SMILES Cl.Nc1ncccc1-c1nc2ccc(nc2n1-c1ccc(cc1)C1(N)CCC1)-c1ccccc1 Show InChI InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length active AKT2 (1 to 481 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair

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