Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50324253'   

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))	BDBM50324253 ((Z)-3-(2-{[5-(4-Hydroxy-3-methoxyphenyl)-2-oxoindo...) Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:17.18| Show InChI InChI=1S/C27H24N2O6/c1-35-24-12-15(6-9-22(24)30)14-5-8-19-17(11-14)18(27(34)29-19)13-21-16(7-10-25(32)33)26-20(28-21)3-2-4-23(26)31/h5-6,8-9,11-13,28,30H,2-4,7,10H2,1H3,(H,29,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
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