Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50327917'   

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))	BDBM50327917 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)NC1CCc2ccccc12 Show InChI InChI=1S/C27H28N6O2S/c1-32-12-14-33(15-13-32)19-9-6-18(7-10-19)26(34)29-25-24-22(30-31-25)16-23(36-24)27(35)28-21-11-8-17-4-2-3-5-20(17)21/h2-7,9-10,16,21H,8,11-15H2,1H3,(H,28,35)(H2,29,30,31,34)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
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