Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50081553'   

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))	BDBM50081553 (CHEMBL3422066) Show SMILES O=C(CC1(CCCCC1)N1CCOCC1)Nc1ccc2[nH]nc(-c3ccc(cc3)N3CCOCC3)c2c1 Show InChI InChI=1S/C29H37N5O3/c35-27(21-29(10-2-1-3-11-29)34-14-18-37-19-15-34)30-23-6-9-26-25(20-23)28(32-31-26)22-4-7-24(8-5-22)33-12-16-36-17-13-33/h4-9,20H,1-3,10-19,21H2,(H,30,35)(H,31,32)	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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
EntreMed Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant AURKA (unknown origin) preincubated for 15 mins prior to ATP addition by FRET-based homogenous assay				J Med Chem 58: 3366-92 (2015) Article DOI: 10.1021/jm501740a BindingDB Entry DOI: 10.7270/Q2Q52RCN
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