Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50315841'   

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))	BDBM50315841 (4-methyl-N-(3-(2-(5-(methylsulfonamido)-6-(pyrroli...) Show SMILES CN1CCN(CC1)C(=O)Nc1cccc(\C=C\c2n[nH]c3cc(N4CCCC4)c(NS(C)(=O)=O)cc23)c1 Show InChI InChI=1S/C26H33N7O3S/c1-31-12-14-33(15-13-31)26(34)27-20-7-5-6-19(16-20)8-9-22-21-17-24(30-37(2,35)36)25(18-23(21)29-28-22)32-10-3-4-11-32/h5-9,16-18,30H,3-4,10-15H2,1-2H3,(H,27,34)(H,28,29)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
S*BIO Pte. Ltd Curated by ChEMBL					Assay Description Inhibition of GST tagged recombinant Aurora B expressed in Hi-5 cells after 1 hr by TRF assay				Bioorg Med Chem Lett 20: 2443-7 (2010) Article DOI: 10.1016/j.bmcl.2010.03.018 BindingDB Entry DOI: 10.7270/Q24B31HK
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