Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50029429'   

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))	BDBM50029429 (CHEMBL3343313) Show SMILES CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1 |c:12,38,t:9,14| Show InChI InChI=1S/C29H36N6O2/c1-3-35(4-2)17-8-18-37-25-15-16-26-27(19-25)31-21-32-28(26)33-23-11-13-24(14-12-23)34-29(36)30-20-22-9-6-5-7-10-22/h5-7,9-16,19,21,26-27H,3-4,8,17-18,20H2,1-2H3,(H2,30,34,36)(H,31,32,33)	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	128	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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