Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM12412'   

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 A (Homo sapiens (Human))	BDBM12412 (CHEMBL203507 | N-[5-({6-methoxy-7-[3-(morpholin-4-...) Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C26H28N8O4/c1-36-22-13-20-21(14-23(22)38-10-2-7-34-8-11-37-12-9-34)30-17-31-24(20)32-19-15-28-26(29-16-19)33-25(35)18-3-5-27-6-4-18/h3-6,13-17H,2,7-12H2,1H3,(H,30,31,32)(H,28,29,33,35)	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	690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 49: 4805-8 (2006) Article DOI: 10.1021/jm060522a BindingDB Entry DOI: 10.7270/Q2QZ29KW
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12412 (CHEMBL203507 | N-[5-({6-methoxy-7-[3-(morpholin-4-...) Show SMILES COc1cc2c(Nc3cnc(NC(=O)c4ccncc4)nc3)ncnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C26H28N8O4/c1-36-22-13-20-21(14-23(22)38-10-2-7-34-8-11-37-12-9-34)30-17-31-24(20)32-19-15-28-26(29-16-19)33-25(35)18-3-5-27-6-4-18/h3-6,13-17H,2,7-12H2,1H3,(H,30,31,32)(H,28,29,33,35)	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	690	n/a	n/a	n/a	n/a	7.5	22
AstraZeneca					Assay Description In vitro kinase assay using recombinant Aurora A purified from Sf9 cells, was incubated at room temperature with substrate, and test compounds in the...				Bioorg Med Chem Lett 16: 1320-23 (2006) Article DOI: 10.1016/j.bmcl.2005.11.053 BindingDB Entry DOI: 10.7270/Q2WH2N7M
					More data for this Ligand-Target Pair