Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM108427'   

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))	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-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	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))	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