Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50181557'   

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))	BDBM50181557 (2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl...) Show SMILES COc1cccc(NC(=O)Cc2cnc(Nc3ncnc4cc(OCCCN5CCC[C@H]5CO)c(OC)cc34)s2)c1 Show InChI InChI=1S/C29H34N6O5S/c1-38-21-8-3-6-19(12-21)33-27(37)13-22-16-30-29(41-22)34-28-23-14-25(39-2)26(15-24(23)31-18-32-28)40-11-5-10-35-9-4-7-20(35)17-36/h3,6,8,12,14-16,18,20,36H,4-5,7,9-11,13,17H2,1-2H3,(H,33,37)(H,30,31,32,34)/t20-/m0/s1	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	106	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description In vitro inhibition constant for Aurora-A				J Med Chem 49: 955-70 (2006) Article DOI: 10.1021/jm050786h BindingDB Entry DOI: 10.7270/Q24J0FXV
					More data for this Ligand-Target Pair