Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50319570'   

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))	BDBM50319570 (1-ethyl-3-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyr...) Show SMILES CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12 Show InChI InChI=1S/C23H22N6O2/c1-3-25-23(30)29-18-10-11-20(16-8-5-4-7-15(16)18)31-21-17(9-6-13-26-21)19-12-14-27-22(24-2)28-19/h4-14H,3H2,1-2H3,(H,24,27,28)(H2,25,29,30)	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	534	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of Aurora A				J Med Chem 53: 4502-10 (2010) Article DOI: 10.1021/jm100301x BindingDB Entry DOI: 10.7270/Q2T43T83
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