BDBM108430 US8609688, 8

SMILES: C[C@@H](O)CNC(=O)c1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1

InChI Key: InChIKey=DOCHXEHAHKHVRX-LJQANCHMSA-N

Data: 2 IC50  2 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 108430   

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))	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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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