Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50335333'   

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))	BDBM50335333 (4-(5-Methyl-1H-pyrazol-3-ylamino)-2-m-tolyl-2H-pht...) Show SMILES Cc1cc(Nc2nn(-c3cccc(C)c3)c(=O)c3ccccc23)[nH]n1 Show InChI InChI=1S/C19H17N5O/c1-12-6-5-7-14(10-12)24-19(25)16-9-4-3-8-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23)	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	24	n/a	n/a	n/a	n/a	n/a	n/a
Evotec (UK) Ltd. Curated by ChEMBL					Assay Description Inhibition of Aurora A by ELISA				J Med Chem 54: 312-9 (2011) Article DOI: 10.1021/jm101346r BindingDB Entry DOI: 10.7270/Q29P32MB
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