Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 407.5 BDBM50384174

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

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
Aurora kinase B (Homo sapiens (Human))	BDBM50384174 (CHEMBL2029902) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C22H29N7O/c1-26-9-11-28(12-10-26)21(30)19-13-17(15-27(19)2)24-22-23-14-16-7-8-29(20(16)25-22)18-5-3-4-6-18/h7-8,13-15,18H,3-6,9-12H2,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 4033-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.085 BindingDB Entry DOI: 10.7270/Q24X58VK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50384174 (CHEMBL2029902) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C22H29N7O/c1-26-9-11-28(12-10-26)21(30)19-13-17(15-27(19)2)24-22-23-14-16-7-8-29(20(16)25-22)18-5-3-4-6-18/h7-8,13-15,18H,3-6,9-12H2,1-2H3,(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 4033-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.085 BindingDB Entry DOI: 10.7270/Q24X58VK
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50384174 (CHEMBL2029902) Show SMILES CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C Show InChI InChI=1S/C22H29N7O/c1-26-9-11-28(12-10-26)21(30)19-13-17(15-27(19)2)24-22-23-14-16-7-8-29(20(16)25-22)18-5-3-4-6-18/h7-8,13-15,18H,3-6,9-12H2,1-2H3,(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 4033-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.085 BindingDB Entry DOI: 10.7270/Q24X58VK
					More data for this Ligand-Target Pair