Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50383821'   

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))	BDBM50383821 (CHEMBL2030979) Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by...				Bioorg Med Chem Lett 22: 3589-93 (2012) Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ
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