Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM50335187'   

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))	BDBM50335187 (CHEMBL1650544 | N-[3-[(3(R)-Fluoro-1-pyrrolidinyl)...) Show SMILES Cc1cn2c(cnc2c(Nc2cc(CN3CC[C@@H](F)C3)ns2)n1)-c1cn[nH]c1 |r| Show InChI InChI=1S/C18H19FN8S/c1-11-8-27-15(12-5-21-22-6-12)7-20-18(27)17(23-11)24-16-4-14(25-28-16)10-26-3-2-13(19)9-26/h4-8,13H,2-3,9-10H2,1H3,(H,21,22)(H,23,24)/t13-/m1/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	82	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Aurora B in human HCT116 cells assessed as inhibition of histone H3 phosphorylation by immunofluorescence assay				J Med Chem 54: 201-10 (2011) Article DOI: 10.1021/jm1010995 BindingDB Entry DOI: 10.7270/Q2VM4D76
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