Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50029446'   

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))	BDBM50029446 (CHEMBL3343319) Show SMILES CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14| Show InChI InChI=1S/C29H41N7O2/c1-35-15-17-36(18-16-35)14-5-19-38-25-12-13-26-27(20-25)30-21-31-28(26)32-23-8-10-24(11-9-23)34-29(37)33-22-6-3-2-4-7-22/h8-13,20-22,26-27H,2-7,14-19H2,1H3,(H,30,31,32)(H2,33,34,37)	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	202	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay				Bioorg Med Chem 22: 5813-23 (2014) Article DOI: 10.1016/j.bmc.2014.09.029 BindingDB Entry DOI: 10.7270/Q279468G
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