Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50004224'   

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))	BDBM50004224 (CHEMBL3237189) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(NC(C)=O)cc2)n1 Show InChI InChI=1S/C21H27N9O/c1-14-12-19(28-27-14)24-18-13-20(30-10-8-29(3)9-11-30)26-21(25-18)23-17-6-4-16(5-7-17)22-15(2)31/h4-7,12-13H,8-11H2,1-3H3,(H,22,31)(H3,23,24,25,26,27,28)	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	118	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				Eur J Med Chem 78: 65-71 (2014) Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP
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