Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aurora kinase A' and Ligand = 'BDBM50215754'   

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))	BDBM50215754 (4-(2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1H-py...) Show SMILES COc1ccc2nc([nH]c2c1)-c1n[nH]cc1C=Cc1cncc2ccccc12 |w:17.20| Show InChI InChI=1S/C22H17N5O/c1-28-17-8-9-19-20(10-17)26-22(25-19)21-16(13-24-27-21)7-6-15-12-23-11-14-4-2-3-5-18(14)15/h2-13H,1H3,(H,24,27)(H,25,26)	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	530	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL					Assay Description Inhibition of aurora-A				Bioorg Med Chem Lett 17: 4557-61 (2007) Article DOI: 10.1016/j.bmcl.2007.05.092 BindingDB Entry DOI: 10.7270/Q2DB81JD
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