Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM25724'   

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))	BDBM25724 (2-[(5-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}py...) Show SMILES OCCN1CCN(Cc2ccc(Nc3ncc(s3)C#N)nc2)CC1 Show InChI InChI=1S/C16H20N6OS/c17-9-14-11-19-16(24-14)20-15-2-1-13(10-18-15)12-22-5-3-21(4-6-22)7-8-23/h1-2,10-11,23H,3-8,12H2,(H,18,19,20)	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	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis					Assay Description The biochemical activity of compounds was determined by incubation with Aurora A and substrates in the presence ATP/[gamma-33P] ATP. After incubatio...				ACS Chem Biol 3: 180-92 (2008) Article DOI: 10.1021/cb700200w BindingDB Entry DOI: 10.7270/Q2HX1B03
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