Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50453822'   

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))	BDBM50453822 (CHEMBL3969370) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12 Show InChI InChI=1S/C30H27N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h5-17H,1H2,2-4H3,(H,32,38)(H,33,39)(H,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of recombinant full length His-tagged human Aurora B expressed in baculovirus expression system by Z'LYTE assay				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50453822 (CHEMBL3969370) Show SMILES CN1c2ccc(C)cc2C(=O)N(C)c2cnc(Nc3ccc(NC(=O)c4ccc(NC(=O)C=C)cc4)cc3)nc12 Show InChI InChI=1S/C30H27N7O3/c1-5-26(38)32-20-9-7-19(8-10-20)28(39)33-21-11-13-22(14-12-21)34-30-31-17-25-27(35-30)36(3)24-15-6-18(2)16-23(24)29(40)37(25)4/h5-17H,1H2,2-4H3,(H,32,38)(H,33,39)(H,31,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.10	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HCT116 cells assessed as reduction in histone H3 phosphorylation at S10 residues after 4 hrs by Western blot analysis				Bioorg Med Chem Lett 27: 4405-4408 (2017) Article DOI: 10.1016/j.bmcl.2017.08.016 BindingDB Entry DOI: 10.7270/Q2WQ06CB
					More data for this Ligand-Target Pair