Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50324255'   

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))	BDBM50324255 ((Z)-3-{2-[(5-Acetamido-2-oxoindolin-3-ylidene)meth...) Show SMILES CC(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12| Show InChI InChI=1S/C22H21N3O5/c1-11(26)23-12-5-7-16-14(9-12)15(22(30)25-16)10-18-13(6-8-20(28)29)21-17(24-18)3-2-4-19(21)27/h5,7,9-10,24H,2-4,6,8H2,1H3,(H,23,26)(H,25,30)(H,28,29)	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	252	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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