Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50027189'   

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))	BDBM50027189 (CHEMBL381721) Show SMILES COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C28H32FN7O3S/c1-35-8-10-36(11-9-35)7-4-12-39-25-16-23-22(15-24(25)38-2)27(32-18-31-23)34-28-30-17-21(40-28)14-26(37)33-20-6-3-5-19(29)13-20/h3,5-6,13,15-18H,4,7-12,14H2,1-2H3,(H,33,37)(H,30,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase activity				J Med Chem 49: 955-70 (2006) Article DOI: 10.1021/jm050786h BindingDB Entry DOI: 10.7270/Q24J0FXV
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