Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50381717'   

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 B (Homo sapiens (Human))	BDBM50381717 (CHEMBL2022857) Show SMILES Nc1ncc(-c2cnn(CCCN3CC[C@@H](O)C3)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 |r| Show InChI InChI=1S/C30H30FN7O2S/c31-21-3-1-4-23(13-21)36-30(40)35-22-7-5-19(6-8-22)26-18-41-28-25(15-33-29(32)27(26)28)20-14-34-38(16-20)11-2-10-37-12-9-24(39)17-37/h1,3-8,13-16,18,24,39H,2,9-12,17H2,(H2,32,33)(H2,35,36,40)/t24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B using 1 mM ATP by HTRF assay				Bioorg Med Chem Lett 22: 3208-12 (2012) Article DOI: 10.1016/j.bmcl.2012.03.035 BindingDB Entry DOI: 10.7270/Q2000336
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