Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50352331'   

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))	BDBM50352331 (CHEMBL1822645) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H26N8O3S/c1-14-9-20(28-27-14)25-22-19-3-2-8-31(19)29-23(26-22)35-18-6-4-15(5-7-18)24-21(34)12-30-11-17(33)10-16(30)13-32/h2-9,16-17,32-33H,10-13H2,1H3,(H,24,34)(H2,25,26,27,28,29)/t16-,17+/m0/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	637	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of Aurora B kinase assessed as reduction in histone H3 phosphorylation in human HCT116 cells				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50352331 (CHEMBL1822645) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)C[C@H]4CO)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C23H26N8O3S/c1-14-9-20(28-27-14)25-22-19-3-2-8-31(19)29-23(26-22)35-18-6-4-15(5-7-18)24-21(34)12-30-11-17(33)10-16(30)13-32/h2-9,16-17,32-33H,10-13H2,1H3,(H,24,34)(H2,25,26,27,28,29)/t16-,17+/m0/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	n/a	15	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to Aurora B kinase catalytic domain by competitive binding assay				Bioorg Med Chem Lett 21: 5296-300 (2011) Article DOI: 10.1016/j.bmcl.2011.07.027 BindingDB Entry DOI: 10.7270/Q20P10D8
					More data for this Ligand-Target Pair