Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase B' and Ligand = 'BDBM92839'   

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))	BDBM92839 (Bisanilinopyrimidine, 9k | US9249124, 55) Show SMILES Fc1cnc(Nc2ccc(CN3CCOCC3)cc2)nc1Nc1ccccc1Cl Show InChI InChI=1S/C21H21ClFN5O/c22-17-3-1-2-4-19(17)26-20-18(23)13-24-21(27-20)25-16-7-5-15(6-8-16)14-28-9-11-29-12-10-28/h1-8,13H,9-12,14H2,(H2,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Moffitt Cancer Center					Assay Description In vitro enzyme activity assay using Aurora Kinase A.				J Med Chem 55: 7392-416 (2012) Article DOI: 10.1021/jm300334d BindingDB Entry DOI: 10.7270/Q2V986NH
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