Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'RAC-alpha serine/threonine-protein kinase' and Ligand = 'BDBM108425'   

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))	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-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	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))	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