Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM87049'   

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 A (Homo sapiens (Human))	BDBM87049 (Bisanilinopyrimidine inhibitor, 3) Show SMILES OC(=O)c1ccc(Nc2nccc(Nc3ccccc3Cc3ccccc3)n2)cc1 Show InChI InChI=1S/C24H20N4O2/c29-23(30)18-10-12-20(13-11-18)26-24-25-15-14-22(28-24)27-21-9-5-4-8-19(21)16-17-6-2-1-3-7-17/h1-15H,16H2,(H,29,30)(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	299	n/a	n/a	n/a	7.4	25
Moffitt Cancer Center and Research Institute					Assay Description The formation of ADP from ATP was quantified using a coupled enzyme assay (DiscoverX) in with a fluorescent resorufin dye is generated from the inter...				ACS Chem Biol 7: 698-706 (2012) Article DOI: 10.1021/cb200508b BindingDB Entry DOI: 10.7270/Q2PK0DRH
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