Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50352322'   

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))	BDBM50352322 (CHEMBL1822654) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/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	23	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))	BDBM50352322 (CHEMBL1822654) Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4C[C@H](O)[C@H](C4)OC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H32N8O3S/c1-17-13-24(32-31-17)29-26-21-7-4-12-35(21)33-27(30-26)39-20-10-8-18(9-11-20)28-25(37)16-34-14-22(36)23(15-34)38-19-5-2-3-6-19/h4,7-13,19,22-23,36H,2-3,5-6,14-16H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t22-,23-/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	4	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