Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50533815'   

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))	BDBM50533815 (CHEMBL4434704) Show SMILES COc1ccc2NC(=O)C(=Cc3ccc4c(n[nH]c4c3)-c3ccc(nc3)N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C27H26N6O2/c1-32-9-11-33(12-10-32)25-8-4-18(16-28-25)26-20-6-3-17(14-24(20)30-31-26)13-22-21-15-19(35-2)5-7-23(21)29-27(22)34/h3-8,13-16H,9-12H2,1-2H3,(H,29,34)(H,30,31)/b22-13+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of AURKB (unknown origin)				Bioorg Med Chem Lett 26: 4625-4630 (2016) Article DOI: 10.1016/j.bmcl.2016.08.063 BindingDB Entry DOI: 10.7270/Q22V2KMQ
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