Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50436709'   

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))	BDBM50436709 (CHEMBL2398654) Show SMILES Fc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(-c5ccccc5)c34)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C33H26FN5O2/c34-25-13-17-27(18-14-25)39-33(40)38-26-15-11-22(12-16-26)19-20-35-31-29-28(23-7-3-1-4-8-23)30(24-9-5-2-6-10-24)41-32(29)37-21-36-31/h1-18,21H,19-20H2,(H,35,36,37)(H2,38,39,40)	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	123	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
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