Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50543803'   

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))	BDBM50543803 (CHEMBL4639147) Show SMILES CCOC(=O)c1cnc2c(Cl)ccc(Cl)c2c1Nc1cccc(NS(C)(=O)=O)c1 Show InChI InChI=1S/C19H17Cl2N3O4S/c1-3-28-19(25)13-10-22-18-15(21)8-7-14(20)16(18)17(13)23-11-5-4-6-12(9-11)24-29(2,26)27/h4-10,24H,3H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jouf University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using [H-LRRASLG] as substrate in presence of [gamma-33P]-ATP incubated for 2 hrs by hotspot kinase assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115525 BindingDB Entry DOI: 10.7270/Q2ZP49PD
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