Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50436700'   

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))	BDBM50436700 (CHEMBL2398647) Show SMILES O=C(Nc1ccccc1)Nc1ccc(CNc2ncnc3oc(c(-c4ccccc4)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C32H25N5O2/c38-32(36-25-14-8-3-9-15-25)37-26-18-16-22(17-19-26)20-33-30-28-27(23-10-4-1-5-11-23)29(24-12-6-2-7-13-24)39-31(28)35-21-34-30/h1-19,21H,20H2,(H,33,34,35)(H2,36,37,38)	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	852	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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