Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50324256'   

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))	BDBM50324256 ((Z)-3-{2-[(5-Benzamido-2-oxoindolin-3-ylidene)meth...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C27H23N3O5/c31-23-8-4-7-21-25(23)17(10-12-24(32)33)22(29-21)14-19-18-13-16(9-11-20(18)30-27(19)35)28-26(34)15-5-2-1-3-6-15/h1-3,5-6,9,11,13-14,29H,4,7-8,10,12H2,(H,28,34)(H,30,35)(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	720	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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