Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50029449'   

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))	BDBM50029449 (CHEMBL3343321) Show SMILES CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1 |c:15,40,t:12,17| Show InChI InChI=1S/C30H42N6O2/c1-22-8-5-6-17-36(22)18-7-19-38-26-15-16-27-28(20-26)31-21-32-29(27)33-24-11-13-25(14-12-24)35-30(37)34-23-9-3-2-4-10-23/h11-16,20-23,27-28H,2-10,17-19H2,1H3,(H,31,32,33)(H2,34,35,37)	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	82	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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