Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50335331'   

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))	BDBM50335331 (2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylami...) Show SMILES COc1ccc(cc1)-n1nc(Nc2cc(C)n[nH]2)c2ccccc2c1=O Show InChI InChI=1S/C19H17N5O2/c1-12-11-17(22-21-12)20-18-15-5-3-4-6-16(15)19(25)24(23-18)13-7-9-14(26-2)10-8-13/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	29	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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