Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50004211'   

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))	BDBM50004211 (CHEMBL3237176) Show SMILES COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(n2)N2CCN(CC2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C21H26N8O4S/c1-14-12-18(27-26-14)23-17-13-19(28-8-10-29(11-9-28)34(3,31)32)25-21(24-17)22-16-6-4-15(5-7-16)20(30)33-2/h4-7,12-13H,8-11H2,1-3H3,(H3,22,23,24,25,26,27)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin) using FAM-labeled peptide as substrate preincubated for 10 mins followed by substrate addition measured after...				Eur J Med Chem 78: 65-71 (2014) Article DOI: 10.1016/j.ejmech.2014.03.027 BindingDB Entry DOI: 10.7270/Q2Z60QKP
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