Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM12410'   

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))	BDBM12410 (4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)prop...) Show SMILES CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1 Show InChI InChI=1S/C29H33N7O4/c1-3-20-5-7-21(8-6-20)28(37)35-29-30-17-22(18-31-29)34-27-23-15-25(38-2)26(16-24(23)32-19-33-27)40-12-4-9-36-10-13-39-14-11-36/h5-8,15-19H,3-4,9-14H2,1-2H3,(H,32,33,34)(H,30,31,35,37)	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	85	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))	BDBM12410 (4-ethyl-N-[5-({6-methoxy-7-[3-(morpholin-4-yl)prop...) Show SMILES CCc1ccc(cc1)C(=O)Nc1ncc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)cn1 Show InChI InChI=1S/C29H33N7O4/c1-3-20-5-7-21(8-6-20)28(37)35-29-30-17-22(18-31-29)34-27-23-15-25(38-2)26(16-24(23)32-19-33-27)40-12-4-9-36-10-13-39-14-11-36/h5-8,15-19H,3-4,9-14H2,1-2H3,(H,32,33,34)(H,30,31,35,37)	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	85	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