Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50316485'   

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))	BDBM50316485 (CHEMBL1094904 | N-{4-[1-Ethyl-4-(2-{[(2-hydroxyeth...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(CNCCO)cc12 Show InChI InChI=1S/C28H29N7O2/c1-2-35-18-25(23-12-13-30-27-24(23)16-22(31-27)17-29-14-15-36)26(34-35)19-8-10-21(11-9-19)33-28(37)32-20-6-4-3-5-7-20/h3-13,16,18,29,36H,2,14-15,17H2,1H3,(H,30,31)(H2,32,33,37)	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	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human Aurora A				J Med Chem 53: 3973-4001 (2010) Article DOI: 10.1021/jm901870q BindingDB Entry DOI: 10.7270/Q27082CK
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