Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50316509'   

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))	BDBM50316509 (4-[3-(4-N-Phenylcarbamylaminophenyl)-1-ethyl-1H-py...) Show SMILES CCn1cc(c(n1)-c1ccc(NC(=O)Nc2ccccc2)cc1)-c1ccnc2[nH]c(cc12)-c1cccc(CN2CCCC2)c1 Show InChI InChI=1S/C36H35N7O/c1-2-43-24-32(34(41-43)26-13-15-29(16-14-26)39-36(44)38-28-11-4-3-5-12-28)30-17-18-37-35-31(30)22-33(40-35)27-10-8-9-25(21-27)23-42-19-6-7-20-42/h3-5,8-18,21-22,24H,2,6-7,19-20,23H2,1H3,(H,37,40)(H2,38,39,44)	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	22	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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