Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50266149'   

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))	BDBM50266149 (1-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-y...) Show SMILES CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)Nc2ccccc2)c2ccccc12 Show InChI InChI=1S/C27H22N6O2/c1-28-26-30-17-15-23(32-26)21-12-7-16-29-25(21)35-24-14-13-22(19-10-5-6-11-20(19)24)33-27(34)31-18-8-3-2-4-9-18/h2-17H,1H3,(H,28,30,32)(H2,31,33,34)	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	52	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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