Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50318579'   

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))	BDBM50318579 (2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)c2[nH]1 Show InChI InChI=1S/C26H27Cl2N7O/c1-33(2)20-8-6-17(7-9-20)25-31-23-24(21(28)15-29-26(23)32-25)35-12-10-34(11-13-35)16-22(36)30-19-5-3-4-18(27)14-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,30,36)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A expressed in baculovirus system				J Med Chem 53: 5213-28 (2010) Article DOI: 10.1021/jm100262j BindingDB Entry DOI: 10.7270/Q2GB251P
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50318579 (2-(4-(6-Chloro-2-(4-(dimethylamino)phenyl)-3H-imid...) Show SMILES CN(C)c1ccc(cc1)-c1nc2ncc(Cl)c(N3CCN(CC(=O)Nc4cccc(Cl)c4)CC3)c2[nH]1 Show InChI InChI=1S/C26H27Cl2N7O/c1-33(2)20-8-6-17(7-9-20)25-31-23-24(21(28)15-29-26(23)32-25)35-12-10-34(11-13-35)16-22(36)30-19-5-3-4-18(27)14-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,30,36)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Aurora A				Eur J Med Chem 46: 77-94 (2010) Article DOI: 10.1016/j.ejmech.2010.10.017 BindingDB Entry DOI: 10.7270/Q25X296N
					More data for this Ligand-Target Pair