Compile Data Set for Download or QSAR

Found 210 hits of kd for UniProtKB: P31749   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM31094 (PKC-412 | cid_24202429) Show SMILES [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	9.50E+5	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2542M0R
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM31096 (CHEMBL290084 | Staurosporine | cid_451705) Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2542M0R
					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	n/a	0.400	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	0.700	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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	n/a	1.40	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	7.10	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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	n/a	1.20	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	0.200	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	0.200	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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	n/a	0.200	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	0.200	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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	n/a	1.40	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	1.10	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	BDBM108437 (US8609688, 15) Show SMILES CC(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C35H38N8O/c1-23(2)34(44)42-20-18-41(19-21-42)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-17-38-31(28)36)26-11-9-25(10-12-26)35(37)15-5-16-35/h3-4,6-14,17,22-23H,5,15-16,18-21,37H2,1-2H3,(H2,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.10	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	1.70	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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	n/a	3.10	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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	n/a	0.800	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	BDBM108442 (US8609688, 20) Show SMILES Nc1ncccc1-c1nc2ccc(Nc3ccc(cc3)N3CCOCC3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C31H32N8O/c32-28-25(3-1-16-34-28)29-36-26-12-13-27(35-22-6-10-23(11-7-22)38-17-19-40-20-18-38)37-30(26)39(29)24-8-4-21(5-9-24)31(33)14-2-15-31/h1,3-13,16H,2,14-15,17-20,33H2,(H2,32,34)(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	57.3	n/a	n/a	n/a	7.5	80
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))	BDBM108443 (US8609688, 21) Show SMILES Nc1ncccc1-c1nc2ccc(Sc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C27H24N6S/c28-24-21(8-4-17-30-24)25-31-22-13-14-23(34-20-6-2-1-3-7-20)32-26(22)33(25)19-11-9-18(10-12-19)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	BDBM108444 (US8609688, 22) Show SMILES Nc1ncccc1-c1nc2ccc(Oc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C27H24N6O/c28-24-21(8-4-17-30-24)25-31-22-13-14-23(34-20-6-2-1-3-7-20)32-26(22)33(25)19-11-9-18(10-12-19)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	83.1	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	7	n/a	n/a	n/a	7.5	80
ArQule, Inc. US Patent					Assay Description Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protein tertiary structu...				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))	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	n/a	7	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	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	n/a	0.400	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	0.700	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	1.40	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	7.10	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	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	n/a	1.20	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	0.200	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	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	n/a	1.40	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	1.10	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	BDBM108437 (US8609688, 15) Show SMILES CC(C)C(=O)N1CCN(CC1)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C35H38N8O/c1-23(2)34(44)42-20-18-41(19-21-42)27-7-3-6-24(22-27)29-13-14-30-33(39-29)43(32(40-30)28-8-4-17-38-31(28)36)26-11-9-25(10-12-26)35(37)15-5-16-35/h3-4,6-14,17,22-23H,5,15-16,18-21,37H2,1-2H3,(H2,36,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	1.70	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	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	n/a	3.10	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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	n/a	0.800	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	BDBM108442 (US8609688, 20) Show SMILES Nc1ncccc1-c1nc2ccc(Nc3ccc(cc3)N3CCOCC3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C31H32N8O/c32-28-25(3-1-16-34-28)29-36-26-12-13-27(35-22-6-10-23(11-7-22)38-17-19-40-20-18-38)37-30(26)39(29)24-8-4-21(5-9-24)31(33)14-2-15-31/h1,3-13,16H,2,14-15,17-20,33H2,(H2,32,34)(H,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	57.3	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	BDBM108443 (US8609688, 21) Show SMILES Nc1ncccc1-c1nc2ccc(Sc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C27H24N6S/c28-24-21(8-4-17-30-24)25-31-22-13-14-23(34-20-6-2-1-3-7-20)32-26(22)33(25)19-11-9-18(10-12-19)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	BDBM108444 (US8609688, 22) Show SMILES Nc1ncccc1-c1nc2ccc(Oc3ccccc3)nc2n1-c1ccc(cc1)C1(N)CCC1 Show InChI InChI=1S/C27H24N6O/c28-24-21(8-4-17-30-24)25-31-22-13-14-23(34-20-6-2-1-3-7-20)32-26(22)33(25)19-11-9-18(10-12-19)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	83.1	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Binding analysis. Protein-ligand binding was identified with the thermal shift assay which is based on the ligand-induced stabilization of the protei...				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))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to AKT1				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding affinity to AKT1				Blood 114: 2984-92 (2009) Article DOI: 10.1182/blood-2009-05-222034 BindingDB Entry DOI: 10.7270/Q2PN95V2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50026612 (BIBF-1120 | Nintedanib | US10981896, Compound Nint...) Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AKT1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AKT1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AKT1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50308060 (16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...) Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AKT1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50326053 (CHEMBL608533 | PKC-412) Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AKT1 kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for AKT1 kinase domain				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50044550 (CHEMBL3314097) Show SMILES [H][C@@]12CS[C@H](CCCCC(=O)NCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)C(CCCCCCCCn3cc(C[C@H](NC(C)=O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O)nn3)NC(=O)CCCc3cn(CCCCCCCCC(NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(N)=O)nn3)C(C)C)[C@]1([H])NC(=O)N2 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a
Institut de Chimie des Substances Naturelles Curated by ChEMBL					Assay Description Inhibition of Akt1 (unknown origin)				Bioorg Med Chem 22: 4474-89 (2014) Article DOI: 10.1016/j.bmc.2014.04.019 BindingDB Entry DOI: 10.7270/Q29K4CW0
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50078207 (CHEMBL3414688) Show SMILES CC(C)CCCC1(C)CCc2cc(cc(Br)c2O1)S(N)(=O)=O Show InChI InChI=1S/C16H24BrNO3S/c1-11(2)5-4-7-16(3)8-6-12-9-13(22(18,19)20)10-14(17)15(12)21-16/h9-11H,4-8H2,1-3H3,(H2,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description Binding affinity to GST-tagged PH domain of AKT (unknown origin) by surface Plasmon resonance spectroscopy				J Med Chem 58: 2290-8 (2015) Article DOI: 10.1021/jm501751b BindingDB Entry DOI: 10.7270/Q20V8FGX
					More data for this Ligand-Target Pair

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